 Entering Gaussian System, Link 0=g16
 Input=31_naproxen_conformer06_STD_LCPBE_augccpVDZ.in
 Output=31_naproxen_conformer06_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/Gau-240073.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    240074.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Aug-2021 
 ******************************************
 %NoSave
 %NProc=8
 Will use up to    8 processors via shared memory.
 %Mem=42GB
 %chk=31_naproxen_conformer06_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight) 
 Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=023000000
 0,3/108=0230000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-1
 )
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=230000000,108=230000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=200,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Aug 16 21:28:41 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "31_naproxen_conformer06_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.567529000000     -0.314210000000      0.221267000000
  C                                                 1.116501000000      0.958834000000     -0.121705000000
  C                                                -0.832468000000     -0.452394000000      0.346989000000
  C                                                -1.683696000000      0.608480000000      0.142165000000
  C                                                -1.129092000000      1.866387000000     -0.201361000000
  C                                                 0.222901000000      2.038684000000     -0.327975000000
  C                                                 1.454755000000     -1.393161000000      0.424360000000
  H                                                -1.231675000000     -1.426463000000      0.608205000000
  H                                                -1.795403000000      2.705320000000     -0.363172000000
  H                                                 0.626528000000      3.008752000000     -0.590297000000
  C                                                -3.181225000000      0.455073000000      0.309625000000
  C                                                -3.596004000000      0.302981000000      1.774735000000
  C                                                -3.777838000000     -0.669365000000     -0.546498000000
  H                                                -3.650918000000      1.363909000000     -0.084442000000
  H                                                -3.157853000000     -0.597186000000      2.206387000000
  H                                                -4.678109000000      0.225656000000      1.860053000000
  H                                                -3.249256000000      1.161577000000      2.349930000000
  O                                                -4.726990000000     -1.325156000000     -0.223619000000
  O                                                -3.202213000000     -0.855212000000     -1.757282000000
  H                                                -2.391116000000     -0.328302000000     -1.815758000000
  C                                                 2.811014000000     -1.236817000000      0.299275000000
  C                                                 3.349389000000      0.027072000000     -0.040677000000
  C                                                 2.511206000000      1.099868000000     -0.246327000000
  O                                                 4.681594000000      0.258681000000     -0.182443000000
  C                                                 5.589463000000     -0.812553000000      0.016953000000
  H                                                 1.048620000000     -2.363129000000      0.683601000000
  H                                                 3.460822000000     -2.083374000000      0.461722000000
  H                                                 2.940663000000      2.058592000000     -0.506194000000
  H                                                 5.415680000000     -1.623094000000     -0.696322000000
  H                                                 5.528037000000     -1.205433000000      1.035691000000
  H                                                 6.580248000000     -0.396589000000     -0.147622000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     31 NQM=       31 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          12           1           1           1           1          16          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146  15.9949146   1.0078250
 NucSpn=           0           0           0           1           1           1           1           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000   8.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12          12          16          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31
 IAtWgt=           1
 AtmWgt=   1.0078250
 NucSpn=           1
 AtZEff=   1.0000000
 NQMom=    0.0000000
 NMagM=    2.7928460
 AtZNuc=   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Mon Aug 16 21:28:42 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.567529   -0.314210    0.221267
      2          6           0        1.116501    0.958834   -0.121705
      3          6           0       -0.832468   -0.452394    0.346989
      4          6           0       -1.683696    0.608480    0.142165
      5          6           0       -1.129092    1.866387   -0.201361
      6          6           0        0.222901    2.038684   -0.327975
      7          6           0        1.454755   -1.393161    0.424360
      8          1           0       -1.231675   -1.426463    0.608205
      9          1           0       -1.795403    2.705320   -0.363172
     10          1           0        0.626528    3.008752   -0.590297
     11          6           0       -3.181225    0.455073    0.309625
     12          6           0       -3.596004    0.302981    1.774735
     13          6           0       -3.777838   -0.669365   -0.546498
     14          1           0       -3.650918    1.363909   -0.084442
     15          1           0       -3.157853   -0.597186    2.206387
     16          1           0       -4.678109    0.225656    1.860053
     17          1           0       -3.249256    1.161577    2.349930
     18          8           0       -4.726990   -1.325156   -0.223619
     19          8           0       -3.202213   -0.855212   -1.757282
     20          1           0       -2.391116   -0.328302   -1.815758
     21          6           0        2.811014   -1.236817    0.299275
     22          6           0        3.349389    0.027072   -0.040677
     23          6           0        2.511206    1.099868   -0.246327
     24          8           0        4.681594    0.258681   -0.182443
     25          6           0        5.589463   -0.812553    0.016953
     26          1           0        1.048620   -2.363129    0.683601
     27          1           0        3.460822   -2.083374    0.461722
     28          1           0        2.940663    2.058592   -0.506194
     29          1           0        5.415680   -1.623094   -0.696322
     30          1           0        5.528037   -1.205433    1.035691
     31          1           0        6.580248   -0.396589   -0.147622
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.428160   0.000000
     3  C    1.412407   2.451473   0.000000
     4  C    2.434261   2.834339   1.375498   0.000000
     5  C    2.795021   2.423362   2.401129   1.417013   0.000000
     6  C    2.440603   1.416737   2.788342   2.429326   1.368796
     7  C    1.411578   2.438131   2.474352   3.733105   4.206239
     8  H    2.150340   3.425834   1.084625   2.136003   3.392460
     9  H    3.878476   3.404072   3.376793   2.159764   1.083495
    10  H    3.421139   2.159124   3.871267   3.411003   2.130369
    11  C    3.827892   4.348594   2.518244   1.514652   2.542472
    12  C    4.486557   5.121946   3.200966   2.532891   3.526308
    13  C    4.426942   5.175523   3.085547   2.548053   3.683071
    14  H    4.550257   4.784742   3.380643   2.119431   2.574055
    15  H    4.230750   5.109923   2.980896   2.808520   3.997789
    16  H    5.522119   6.167854   4.187848   3.473356   4.420062
    17  H    4.612700   5.020948   3.529524   2.762448   3.391303
    18  O    5.408499   6.274821   4.031700   3.624139   4.809502
    19  O    4.291654   4.961569   3.194669   2.838342   3.758433
    20  H    3.592109   4.102428   2.668756   2.282864   3.002606
    21  C    2.427038   2.805260   3.727272   4.861298   5.040332
    22  C    2.814930   2.420854   4.227068   5.069853   4.844140
    23  C    2.448702   1.407346   3.733858   4.241414   3.720396
    24  O    4.173334   3.633702   5.584873   6.383153   6.029025
    25  C    5.050734   4.812944   6.440484   7.411738   7.236253
    26  H    2.154825   3.418854   2.702352   4.072980   4.838842
    27  H    3.399839   3.884747   4.594083   5.815003   6.091601
    28  H    3.433825   2.164455   4.611886   4.889570   4.085679
    29  H    5.104872   5.047720   6.441924   7.488933   7.433405
    30  H    5.105311   5.048293   6.441848   7.489844   7.435304
    31  H    6.024588   5.629420   7.429409   8.329881   8.034791
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.723041   0.000000
     8  H    3.872915   2.692919   0.000000
     9  H    2.125839   5.289733   4.281704   0.000000
    10  H    1.082940   4.592638   4.955851   2.451409   0.000000
    11  C    3.808206   4.992138   2.725816   2.727044   4.672271
    12  C    4.692344   5.496415   3.153065   3.685654   5.544759
    13  C    4.836031   5.370891   2.896460   3.918183   5.738371
    14  H    3.939683   5.824793   3.757482   2.306515   4.610634
    15  H    4.979990   5.008528   2.636674   4.400619   5.928387
    16  H    5.665195   6.503369   4.021757   4.404708   6.472172
    17  H    4.471730   5.688781   3.715130   3.443509   5.203719
    18  O    5.985627   6.215985   3.594360   4.985821   6.897635
    19  O    4.706268   5.170716   3.131274   4.074315   5.563392
    20  H    3.827428   4.576328   2.902733   3.415808   4.663031
    21  C    4.221455   1.370959   4.058908   6.099046   4.856766
    22  C    3.728814   2.413081   4.849738   5.809122   4.075104
    23  C    2.474749   2.789463   4.595838   4.597609   2.704471
    24  O    4.803075   3.675497   6.199321   6.926052   4.916584
    25  C    6.086749   4.195104   6.874183   8.188783   6.293000
    26  H    4.591411   1.083046   2.466328   5.905368   5.536974
    27  H    5.300860   2.121814   4.740519   7.158208   5.921969
    28  H    2.723672   3.871492   5.549405   4.782158   2.503018
    29  H    6.364688   4.122830   6.777004   8.416999   6.663424
    30  H    6.366188   4.123178   6.776821   8.419239   6.665432
    31  H    6.810209   5.252713   7.915684   8.934194   6.873070
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.530268   0.000000
    13  C    1.534032   2.523221   0.000000
    14  H    1.096304   2.141290   2.088973   0.000000
    15  H    2.169217   1.090230   2.822759   3.055635   0.000000
    16  H    2.167284   1.088214   2.720852   2.476248   1.763007
    17  H    2.160236   1.090078   3.467138   2.475568   1.766977
    18  O    2.417220   2.814850   1.197999   2.899719   2.982794
    19  O    2.447323   3.737864   1.353470   2.815001   3.972306
    20  H    2.399000   3.839520   1.910587   2.729127   4.103393
    21  C    6.226518   6.752617   6.667106   6.976215   6.298696
    22  C    6.553992   7.184033   7.179014   7.126945   6.912539
    23  C    5.755746   6.482109   6.540058   6.169902   6.405781
    24  O    7.880649   8.505947   8.517969   8.406063   8.239900
    25  C    8.866651   9.418440   9.385324   9.493783   9.019731
    26  H    5.096441   5.465460   5.260863   6.047012   4.809558
    27  H    7.112217   7.564224   7.444067   7.922052   7.004247
    28  H    6.380779   7.142326   7.251319   6.641491   7.183533
    29  H    8.901544   9.540772   9.244069   9.565552   9.109538
    30  H    8.895825   9.277372   9.454629   9.597366   8.785510
    31  H    9.809218  10.379834  10.369352  10.381720  10.020589
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.776949   0.000000
    18  O    2.597902   3.871782   0.000000
    19  O    4.053598   4.575898   2.213123   0.000000
    20  H    4.364492   4.506562   2.997488   0.968985   0.000000
    21  C    7.788570   6.832595   7.556635   6.366628   5.688666
    22  C    8.251844   7.109446   8.190842   6.829981   6.019186
    23  C    7.542369   6.318804   7.633658   6.224828   5.341867
    24  O    9.580027   8.374158   9.541053   8.116359   7.282547
    25  C   10.483221   9.352161  10.331981   8.969019   8.202620
    26  H    6.393846   5.802753   5.937854   5.128480   4.713714
    27  H    8.574914   7.688965   8.251355   7.129404   6.520151
    28  H    8.185626   6.875840   8.385851   6.913060   5.986659
    29  H   10.575325   9.597664  10.158050   8.716843   7.992227
    30  H   10.338907   9.185360  10.332752   9.172820   8.462453
    31  H   11.452884  10.260838  11.345556   9.924610   9.125388
                   21         22         23         24         25
    21  C    0.000000
    22  C    1.415214   0.000000
    23  C    2.418194   1.376857   0.000000
    24  O    2.442875   1.359599   2.328575   0.000000
    25  C    2.824798   2.392953   3.633502   1.418283   0.000000
    26  H    2.126574   3.395759   3.872502   4.563159   4.844374
    27  H    1.079490   2.172281   3.396488   2.718539   2.518714
    28  H    3.394895   2.123873   1.082181   2.524943   3.941230
    29  H    2.815086   2.724422   4.006618   2.084234   1.093590
    30  H    2.815228   2.724728   4.007400   2.084214   1.093597
    31  H    3.887522   3.260272   4.336615   2.008850   1.087091
                   26         27         28         29         30
    26  H    0.000000
    27  H    2.438486   0.000000
    28  H    4.954499   4.285243   0.000000
    29  H    4.639294   2.318274   4.440346   0.000000
    30  H    4.639979   2.318102   4.441371   1.785199   0.000000
    31  H    5.929344   3.598244   4.404891   1.778090   1.778091
                   31
    31  H    0.000000
 Stoichiometry    C14H14O3
 Framework group  C1[X(C14H14O3)]
 Deg. of freedom    87
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.15D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.567529   -0.314210    0.221267
      2          6           0        1.116501    0.958834   -0.121705
      3          6           0       -0.832468   -0.452394    0.346989
      4          6           0       -1.683696    0.608480    0.142165
      5          6           0       -1.129092    1.866387   -0.201361
      6          6           0        0.222901    2.038684   -0.327975
      7          6           0        1.454755   -1.393161    0.424360
      8          1           0       -1.231675   -1.426463    0.608205
      9          1           0       -1.795403    2.705320   -0.363172
     10          1           0        0.626528    3.008752   -0.590297
     11          6           0       -3.181225    0.455073    0.309625
     12          6           0       -3.596004    0.302981    1.774735
     13          6           0       -3.777838   -0.669365   -0.546498
     14          1           0       -3.650918    1.363909   -0.084442
     15          1           0       -3.157853   -0.597186    2.206387
     16          1           0       -4.678109    0.225656    1.860053
     17          1           0       -3.249256    1.161577    2.349930
     18          8           0       -4.726990   -1.325156   -0.223619
     19          8           0       -3.202213   -0.855212   -1.757282
     20          1           0       -2.391116   -0.328302   -1.815758
     21          6           0        2.811014   -1.236817    0.299275
     22          6           0        3.349389    0.027072   -0.040677
     23          6           0        2.511206    1.099868   -0.246327
     24          8           0        4.681594    0.258681   -0.182443
     25          6           0        5.589463   -0.812553    0.016953
     26          1           0        1.048620   -2.363129    0.683601
     27          1           0        3.460822   -2.083374    0.461722
     28          1           0        2.940663    2.058592   -0.506194
     29          1           0        5.415680   -1.623094   -0.696322
     30          1           0        5.528037   -1.205433    1.035691
     31          1           0        6.580248   -0.396589   -0.147622
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.3057598           0.2090469           0.1973322
 Leave Link  202 at Mon Aug 16 21:28:42 2021, MaxMem=  5637144576 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     14     15     16     17     20     26     27
 Centers:      28     29     30     31
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7     11     12     13
 Centers:      21     22     23     25
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      18     19     24
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  51 primitive shells out of 588 were deleted.
 There are   551 symmetry adapted cartesian basis functions of A   symmetry.
 There are   517 symmetry adapted basis functions of A   symmetry.
   517 basis functions,   967 primitive gaussians,   551 cartesian basis functions
    61 alpha electrons       61 beta electrons
       nuclear repulsion energy      1134.4648957289 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.230000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.230000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   31 NActive=   31 NUniq=   31 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Mon Aug 16 21:28:43 2021, MaxMem=  5637144576 cpu:              11.2 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   517 RedAO= T EigKep=  1.10D-06  NBF=   517
 NBsUse=   514 1.00D-06 EigRej=  8.91D-07 NBFU=   514
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   551   551   551   551   551 MxSgAt=    31 MxSgA2=    31.
 Leave Link  302 at Mon Aug 16 21:28:44 2021, MaxMem=  5637144576 cpu:               5.6 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Aug 16 21:28:44 2021, MaxMem=  5637144576 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "31_naproxen_conformer06_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Aug 16 21:28:45 2021, MaxMem=  5637144576 cpu:               6.5 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636527787 LenY=  5636223635
 Requested convergence on RMS density matrix=1.00D-08 within 200 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -765.485066464534    
 DIIS: error= 2.25D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -765.485066464534     IErMin= 1 ErrMin= 2.25D-03
 ErrMax= 2.25D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.75D-02 BMatP= 1.75D-02
 IDIUse=3 WtCom= 9.78D-01 WtEn= 2.25D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.281 Goal=   None    Shift=    0.000
 GapD=    0.281 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=5.99D-02 MaxDP=5.86D+00              OVMax= 1.69D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.13D-02    CP:  1.38D+00
 E= -765.498674191370     Delta-E=       -0.013607726836 Rises=F Damp=F
 DIIS: error= 1.27D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -765.498674191370     IErMin= 2 ErrMin= 1.27D-03
 ErrMax= 1.27D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.84D-03 BMatP= 1.75D-02
 IDIUse=3 WtCom= 9.87D-01 WtEn= 1.27D-02
 Coeff-Com:  0.222D+00 0.778D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.219D+00 0.781D+00
 Gap=     0.285 Goal=   None    Shift=    0.000
 RMSDP=7.76D-03 MaxDP=7.59D-01 DE=-1.36D-02 OVMax= 1.19D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.01D-03    CP:  1.43D+00  1.12D+00
 E= -765.499330940225     Delta-E=       -0.000656748854 Rises=F Damp=F
 DIIS: error= 1.05D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -765.499330940225     IErMin= 3 ErrMin= 1.05D-03
 ErrMax= 1.05D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.98D-03 BMatP= 3.84D-03
 IDIUse=3 WtCom= 9.89D-01 WtEn= 1.05D-02
 Coeff-Com: -0.234D-01 0.472D+00 0.552D+00
 Coeff-En:   0.000D+00 0.438D+00 0.562D+00
 Coeff:     -0.232D-01 0.471D+00 0.552D+00
 Gap=     0.283 Goal=   None    Shift=    0.000
 RMSDP=2.95D-03 MaxDP=2.92D-01 DE=-6.57D-04 OVMax= 7.93D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  5.35D-04    CP:  1.45D+00  1.16D+00  1.26D+00
 E= -765.501416967995     Delta-E=       -0.002086027770 Rises=F Damp=F
 DIIS: error= 1.25D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -765.501416967995     IErMin= 4 ErrMin= 1.25D-04
 ErrMax= 1.25D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.30D-05 BMatP= 2.98D-03
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.25D-03
 Coeff-Com: -0.137D-01 0.152D+00 0.215D+00 0.647D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.137D-01 0.151D+00 0.214D+00 0.648D+00
 Gap=     0.283 Goal=   None    Shift=    0.000
 RMSDP=4.31D-04 MaxDP=4.54D-02 DE=-2.09D-03 OVMax= 2.75D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.29D-04    CP:  1.46D+00  1.17D+00  1.34D+00  1.04D+00
 E= -765.501445080033     Delta-E=       -0.000028112038 Rises=F Damp=F
 DIIS: error= 9.02D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -765.501445080033     IErMin= 5 ErrMin= 9.02D-05
 ErrMax= 9.02D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.46D-05 BMatP= 4.30D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.249D-02-0.192D-01 0.370D-02 0.386D+00 0.632D+00
 Coeff:     -0.249D-02-0.192D-01 0.370D-02 0.386D+00 0.632D+00
 Gap=     0.283 Goal=   None    Shift=    0.000
 RMSDP=2.07D-04 MaxDP=2.07D-02 DE=-2.81D-05 OVMax= 9.49D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.87D-05    CP:  1.46D+00  1.17D+00  1.39D+00  1.09D+00  1.33D+00
 E= -765.501456631505     Delta-E=       -0.000011551472 Rises=F Damp=F
 DIIS: error= 1.40D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -765.501456631505     IErMin= 6 ErrMin= 1.40D-05
 ErrMax= 1.40D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.06D-07 BMatP= 1.46D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.145D-03-0.215D-01-0.172D-01 0.109D+00 0.262D+00 0.667D+00
 Coeff:      0.145D-03-0.215D-01-0.172D-01 0.109D+00 0.262D+00 0.667D+00
 Gap=     0.283 Goal=   None    Shift=    0.000
 RMSDP=3.31D-05 MaxDP=1.99D-03 DE=-1.16D-05 OVMax= 2.57D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.65D-05    CP:  1.46D+00  1.17D+00  1.40D+00  1.11D+00  1.36D+00
                    CP:  1.31D+00
 E= -765.501457414677     Delta-E=       -0.000000783172 Rises=F Damp=F
 DIIS: error= 5.48D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -765.501457414677     IErMin= 7 ErrMin= 5.48D-06
 ErrMax= 5.48D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.53D-08 BMatP= 7.06D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.448D-03-0.573D-02-0.723D-02-0.113D-01 0.986D-02 0.256D+00
 Coeff-Com:  0.758D+00
 Coeff:      0.448D-03-0.573D-02-0.723D-02-0.113D-01 0.986D-02 0.256D+00
 Coeff:      0.758D+00
 Gap=     0.283 Goal=   None    Shift=    0.000
 RMSDP=1.49D-05 MaxDP=1.03D-03 DE=-7.83D-07 OVMax= 1.47D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  6.92D-06    CP:  1.46D+00  1.17D+00  1.40D+00  1.11D+00  1.41D+00
                    CP:  1.39D+00  1.27D+00
 E= -765.501457546070     Delta-E=       -0.000000131393 Rises=F Damp=F
 DIIS: error= 2.80D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -765.501457546070     IErMin= 8 ErrMin= 2.80D-06
 ErrMax= 2.80D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.17D-08 BMatP= 8.53D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.134D-03 0.445D-03-0.577D-03-0.166D-01-0.280D-01 0.199D-01
 Coeff-Com:  0.285D+00 0.739D+00
 Coeff:      0.134D-03 0.445D-03-0.577D-03-0.166D-01-0.280D-01 0.199D-01
 Coeff:      0.285D+00 0.739D+00
 Gap=     0.283 Goal=   None    Shift=    0.000
 RMSDP=6.42D-06 MaxDP=5.18D-04 DE=-1.31D-07 OVMax= 6.85D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.33D-06    CP:  1.46D+00  1.17D+00  1.40D+00  1.11D+00  1.41D+00
                    CP:  1.42D+00  1.35D+00  1.12D+00
 E= -765.501457566885     Delta-E=       -0.000000020815 Rises=F Damp=F
 DIIS: error= 1.07D-06 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -765.501457566885     IErMin= 9 ErrMin= 1.07D-06
 ErrMax= 1.07D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.40D-09 BMatP= 1.17D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.354D-04 0.131D-02 0.120D-02-0.429D-02-0.139D-01-0.448D-01
 Coeff-Com: -0.424D-01 0.312D+00 0.791D+00
 Coeff:     -0.354D-04 0.131D-02 0.120D-02-0.429D-02-0.139D-01-0.448D-01
 Coeff:     -0.424D-01 0.312D+00 0.791D+00
 Gap=     0.283 Goal=   None    Shift=    0.000
 RMSDP=2.61D-06 MaxDP=1.88D-04 DE=-2.08D-08 OVMax= 3.54D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.09D-06    CP:  1.46D+00  1.17D+00  1.40D+00  1.11D+00  1.42D+00
                    CP:  1.43D+00  1.37D+00  1.15D+00  1.09D+00
 E= -765.501457571826     Delta-E=       -0.000000004941 Rises=F Damp=F
 DIIS: error= 4.02D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -765.501457571826     IErMin=10 ErrMin= 4.02D-07
 ErrMax= 4.02D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.38D-10 BMatP= 2.40D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.312D-04 0.426D-03 0.508D-03 0.431D-03-0.160D-02-0.183D-01
 Coeff-Com: -0.477D-01 0.192D-01 0.267D+00 0.780D+00
 Coeff:     -0.312D-04 0.426D-03 0.508D-03 0.431D-03-0.160D-02-0.183D-01
 Coeff:     -0.477D-01 0.192D-01 0.267D+00 0.780D+00
 Gap=     0.283 Goal=   None    Shift=    0.000
 RMSDP=5.18D-07 MaxDP=2.58D-05 DE=-4.94D-09 OVMax= 1.36D-05

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.71D-07    CP:  1.46D+00  1.17D+00  1.40D+00  1.11D+00  1.42D+00
                    CP:  1.43D+00  1.37D+00  1.16D+00  1.07D+00  1.17D+00
 E= -765.501457572246     Delta-E=       -0.000000000421 Rises=F Damp=F
 DIIS: error= 1.95D-07 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -765.501457572246     IErMin=11 ErrMin= 1.95D-07
 ErrMax= 1.95D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.25D-11 BMatP= 2.38D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.628D-05-0.698D-04-0.185D-04 0.109D-02 0.221D-02 0.622D-03
 Coeff-Com: -0.127D-01-0.535D-01-0.358D-01 0.335D+00 0.763D+00
 Coeff:     -0.628D-05-0.698D-04-0.185D-04 0.109D-02 0.221D-02 0.622D-03
 Coeff:     -0.127D-01-0.535D-01-0.358D-01 0.335D+00 0.763D+00
 Gap=     0.283 Goal=   None    Shift=    0.000
 RMSDP=4.45D-07 MaxDP=3.87D-05 DE=-4.21D-10 OVMax= 5.30D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.86D-07    CP:  1.46D+00  1.17D+00  1.40D+00  1.11D+00  1.42D+00
                    CP:  1.43D+00  1.37D+00  1.15D+00  1.07D+00  1.26D+00
                    CP:  1.13D+00
 E= -765.501457572394     Delta-E=       -0.000000000147 Rises=F Damp=F
 DIIS: error= 7.27D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -765.501457572394     IErMin=12 ErrMin= 7.27D-08
 ErrMax= 7.27D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.75D-12 BMatP= 5.25D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.129D-05-0.702D-04-0.638D-04 0.321D-03 0.962D-03 0.207D-02
 Coeff-Com:  0.103D-02-0.196D-01-0.394D-01 0.273D-01 0.258D+00 0.769D+00
 Coeff:      0.129D-05-0.702D-04-0.638D-04 0.321D-03 0.962D-03 0.207D-02
 Coeff:      0.103D-02-0.196D-01-0.394D-01 0.273D-01 0.258D+00 0.769D+00
 Gap=     0.283 Goal=   None    Shift=    0.000
 RMSDP=1.55D-07 MaxDP=1.16D-05 DE=-1.47D-10 OVMax= 1.61D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  6.12D-08    CP:  1.46D+00  1.17D+00  1.40D+00  1.11D+00  1.42D+00
                    CP:  1.43D+00  1.36D+00  1.14D+00  1.06D+00  1.28D+00
                    CP:  1.16D+00  1.06D+00
 E= -765.501457572368     Delta-E=        0.000000000026 Rises=F Damp=F
 DIIS: error= 2.71D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -765.501457572394     IErMin=13 ErrMin= 2.71D-08
 ErrMax= 2.71D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.08D-12 BMatP= 4.75D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.149D-05-0.193D-04-0.250D-04-0.342D-04 0.751D-04 0.751D-03
 Coeff-Com:  0.237D-02-0.633D-04-0.112D-01-0.394D-01-0.981D-02 0.347D+00
 Coeff-Com:  0.711D+00
 Coeff:      0.149D-05-0.193D-04-0.250D-04-0.342D-04 0.751D-04 0.751D-03
 Coeff:      0.237D-02-0.633D-04-0.112D-01-0.394D-01-0.981D-02 0.347D+00
 Coeff:      0.711D+00
 Gap=     0.283 Goal=   None    Shift=    0.000
 RMSDP=4.44D-08 MaxDP=3.07D-06 DE= 2.59D-11 OVMax= 6.98D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  2.31D-08    CP:  1.46D+00  1.17D+00  1.40D+00  1.11D+00  1.42D+00
                    CP:  1.43D+00  1.36D+00  1.14D+00  1.06D+00  1.27D+00
                    CP:  1.19D+00  1.11D+00  9.46D-01
 E= -765.501457572448     Delta-E=       -0.000000000080 Rises=F Damp=F
 DIIS: error= 8.61D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=14 EnMin= -765.501457572448     IErMin=14 ErrMin= 8.61D-09
 ErrMax= 8.61D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.04D-14 BMatP= 1.08D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.269D-06 0.438D-05 0.171D-05-0.584D-04-0.117D-03-0.716D-04
 Coeff-Com:  0.612D-03 0.281D-02 0.202D-02-0.170D-01-0.423D-01 0.432D-02
 Coeff-Com:  0.213D+00 0.837D+00
 Coeff:      0.269D-06 0.438D-05 0.171D-05-0.584D-04-0.117D-03-0.716D-04
 Coeff:      0.612D-03 0.281D-02 0.202D-02-0.170D-01-0.423D-01 0.432D-02
 Coeff:      0.213D+00 0.837D+00
 Gap=     0.283 Goal=   None    Shift=    0.000
 RMSDP=1.43D-08 MaxDP=1.03D-06 DE=-8.00D-11 OVMax= 3.16D-07

 Cycle  15  Pass 1  IDiag  1:
 RMSU=  8.73D-09    CP:  1.46D+00  1.17D+00  1.40D+00  1.11D+00  1.42D+00
                    CP:  1.43D+00  1.36D+00  1.14D+00  1.06D+00  1.27D+00
                    CP:  1.19D+00  1.13D+00  1.01D+00  9.82D-01
 E= -765.501457572609     Delta-E=       -0.000000000161 Rises=F Damp=F
 DIIS: error= 5.10D-09 at cycle  15 NSaved=  15.
 NSaved=15 IEnMin=15 EnMin= -765.501457572609     IErMin=15 ErrMin= 5.10D-09
 ErrMax= 5.10D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.39D-14 BMatP= 9.04D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.842D-07 0.352D-05 0.348D-05-0.127D-04-0.431D-04-0.108D-03
 Coeff-Com: -0.985D-04 0.743D-03 0.189D-02 0.409D-03-0.105D-01-0.427D-01
 Coeff-Com: -0.376D-01 0.239D+00 0.849D+00
 Coeff:     -0.842D-07 0.352D-05 0.348D-05-0.127D-04-0.431D-04-0.108D-03
 Coeff:     -0.985D-04 0.743D-03 0.189D-02 0.409D-03-0.105D-01-0.427D-01
 Coeff:     -0.376D-01 0.239D+00 0.849D+00
 Gap=     0.283 Goal=   None    Shift=    0.000
 RMSDP=7.52D-09 MaxDP=7.96D-07 DE=-1.61D-10 OVMax= 1.90D-07

 SCF Done:  E(RLC-PBE+HF-PBE) =  -765.501457573     A.U. after   15 cycles
            NFock= 15  Conv=0.75D-08     -V/T= 2.0045
 KE= 7.620904480291D+02 PE=-4.055169424667D+03 EE= 1.393112623336D+03
 Leave Link  502 at Mon Aug 16 21:42:26 2021, MaxMem=  5637144576 cpu:            6547.0 elap:             820.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   514
 NBasis=   517 NAE=    61 NBE=    61 NFC=     0 NFV=     0
 NROrb=    514 NOA=    61 NOB=    61 NVA=   453 NVB=   453

 **** Warning!!: The largest alpha MO coefficient is  0.12271686D+03

 Leave Link  801 at Mon Aug 16 21:42:26 2021, MaxMem=  5637144576 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         9624 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          31
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.61D-13 8.33D-09 XBig12= 1.00D+00 4.79D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.61D-13 8.33D-09 XBig12= 2.48D-01 1.02D-01.
     11 vectors produced by pass  2 Test12= 4.61D-13 8.33D-09 XBig12= 7.71D-02 1.41D-01.
     11 vectors produced by pass  3 Test12= 4.61D-13 8.33D-09 XBig12= 1.18D-02 4.33D-02.
     11 vectors produced by pass  4 Test12= 4.61D-13 8.33D-09 XBig12= 3.66D-03 1.68D-02.
     11 vectors produced by pass  5 Test12= 4.61D-13 8.33D-09 XBig12= 6.03D-04 8.82D-03.
     11 vectors produced by pass  6 Test12= 4.61D-13 8.33D-09 XBig12= 4.02D-05 1.38D-03.
     11 vectors produced by pass  7 Test12= 4.61D-13 8.33D-09 XBig12= 2.84D-06 3.70D-04.
     11 vectors produced by pass  8 Test12= 4.61D-13 8.33D-09 XBig12= 1.96D-07 8.33D-05.
     11 vectors produced by pass  9 Test12= 4.61D-13 8.33D-09 XBig12= 7.39D-09 1.38D-05.
     11 vectors produced by pass 10 Test12= 4.61D-13 8.33D-09 XBig12= 2.52D-10 2.58D-06.
      9 vectors produced by pass 11 Test12= 4.61D-13 8.33D-09 XBig12= 1.19D-11 6.93D-07.
      7 vectors produced by pass 12 Test12= 4.61D-13 8.33D-09 XBig12= 6.38D-13 1.72D-07.
      5 vectors produced by pass 13 Test12= 4.61D-13 8.33D-09 XBig12= 7.70D-14 2.21D-08.
      2 vectors produced by pass 14 Test12= 4.61D-13 8.33D-09 XBig12= 9.49D-14 1.34D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 9.95D-14
 Solved reduced A of dimension   144 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.311177D+03
      2 -0.180893D+02  0.181487D+03
      3 -0.804335D+01 -0.111747D+02  0.126490D+03
 Isotropic polarizability for W=    0.088559      206.38 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.394704D+03 -0.195910D+03  0.198462D+02
      2  -0.194251D+03  0.152139D+03 -0.517333D+02
      3  -0.200453D+03  0.437707D+02  0.318871D+02
      4  -0.124489D+03  0.104106D+03 -0.479635D+02
      5   0.812687D+02 -0.578065D+02 -0.600493D+02
      6  -0.196874D+02  0.143312D+02 -0.621532D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.627614D+01  0.208383D+02 -0.171469D+01
      2  -0.108772D+01 -0.172808D+02 -0.303347D+02
      3   0.138403D+03 -0.554206D+02  0.215307D+02
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.984304D+01  0.660644D+02  0.499860D+02
      2  -0.614225D+02 -0.282760D+02  0.140404D+03
      3   0.714208D+02 -0.298357D+03  0.381191D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.335829D+00 -0.435742D+01 -0.189963D+02
      2  -0.435742D+01  0.558264D+00  0.169467D+01
      3  -0.189963D+02  0.169467D+01 -0.224872D+01
 OR G Eigenvalues:   -20.4660    -0.3208    18.7605  Iso=     0.6754
 Eigenvectors:
   (1)   0.693573   0.086097   0.715223
   (2)   0.108996   0.968861  -0.222326
   (3)   0.712093  -0.232156  -0.662591
 w=    0.088559 a.u., Optical Rotation Beta=      0.6754 au.
 Molar Mass =    230.2628 grams/mole, [Alpha] ( 5145.0 A) =      148.74 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  133903 ScalPx= 3.69D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  133903 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 7.64D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.68D-14 2.78D-09 XBig12= 1.00D+00 3.34D-01.
     30 vectors produced by pass  1 Test12= 7.68D-14 2.78D-09 XBig12= 8.60D-02 7.46D-02.
     30 vectors produced by pass  2 Test12= 7.68D-14 2.78D-09 XBig12= 9.68D-03 2.68D-02.
     30 vectors produced by pass  3 Test12= 7.68D-14 2.78D-09 XBig12= 2.88D-04 3.06D-03.
     30 vectors produced by pass  4 Test12= 7.68D-14 2.78D-09 XBig12= 1.36D-05 4.66D-04.
     30 vectors produced by pass  5 Test12= 7.68D-14 2.78D-09 XBig12= 3.58D-07 5.77D-05.
     30 vectors produced by pass  6 Test12= 7.68D-14 2.78D-09 XBig12= 6.49D-09 6.51D-06.
     30 vectors produced by pass  7 Test12= 7.68D-14 2.78D-09 XBig12= 1.58D-10 8.87D-07.
     30 vectors produced by pass  8 Test12= 7.68D-14 2.78D-09 XBig12= 2.27D-12 1.11D-07.
     16 vectors produced by pass  9 Test12= 7.68D-14 2.78D-09 XBig12= 7.53D-14 1.48D-08.
      8 vectors produced by pass 10 Test12= 7.68D-14 2.78D-09 XBig12= 6.42D-14 1.64D-08.
      4 vectors produced by pass 11 Test12= 7.68D-14 2.78D-09 XBig12= 3.65D-14 9.21D-09.
      4 vectors produced by pass 12 Test12= 7.68D-14 2.78D-09 XBig12= 5.80D-14 1.34D-08.
      4 vectors produced by pass 13 Test12= 7.68D-14 2.78D-09 XBig12= 8.94D-14 1.59D-08.
      4 vectors produced by pass 14 Test12= 7.68D-14 2.78D-09 XBig12= 3.33D-14 1.03D-08.
      4 vectors produced by pass 15 Test12= 7.68D-14 2.78D-09 XBig12= 5.37D-14 1.08D-08.
      4 vectors produced by pass 16 Test12= 7.68D-14 2.78D-09 XBig12= 2.08D-14 8.48D-09.
      4 vectors produced by pass 17 Test12= 7.68D-14 2.78D-09 XBig12= 2.83D-14 7.87D-09.
      4 vectors produced by pass 18 Test12= 7.68D-14 2.78D-09 XBig12= 3.93D-14 1.19D-08.
      4 vectors produced by pass 19 Test12= 7.68D-14 2.78D-09 XBig12= 9.19D-14 1.69D-08.
      2 vectors produced by pass 20 Test12= 7.68D-14 2.78D-09 XBig12= 1.46D-14 6.83D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   332 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  133903 ScalPx= 1.17D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  133903 ScalPx= 1.17D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  133903 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 5.52D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.311177D+03 -0.180893D+02 -0.804335D+01
      2  -0.180893D+02  0.181487D+03 -0.111747D+02
      3  -0.804335D+01 -0.111747D+02  0.126490D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.627614D+01  0.208383D+02 -0.171469D+01
      2  -0.108772D+01 -0.172808D+02 -0.303347D+02
      3   0.138403D+03 -0.554206D+02  0.215307D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.394704D+03 -0.195910D+03  0.198462D+02
      2  -0.194251D+03  0.152139D+03 -0.517333D+02
      3  -0.200453D+03  0.437707D+02  0.318871D+02
      4  -0.124489D+03  0.104106D+03 -0.479635D+02
      5   0.812687D+02 -0.578065D+02 -0.600493D+02
      6  -0.196874D+02  0.143312D+02 -0.621532D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.438047D+02  0.131261D+02 -0.100481D+01 -0.388586D+02  0.730501D+01
      2   0.131261D+02 -0.792261D+01  0.112350D+01  0.730501D+01 -0.618230D+01
      3  -0.100481D+01  0.112350D+01 -0.163948D-01  0.186649D+00  0.908736D+00
                 6             7             8             9            10 
      1   0.186649D+00  0.125891D+02 -0.295969D+01 -0.105646D+01  0.414357D+02
      2   0.908736D+00 -0.295969D+01  0.160551D+01 -0.117142D+01 -0.130819D+02
      3   0.153649D-01 -0.105646D+01 -0.117142D+01  0.723683D+00  0.879728D+00
                11            12            13            14            15 
      1  -0.130819D+02  0.879728D+00  0.424826D+02 -0.853138D+01 -0.476708D-01
      2   0.422679D+01 -0.255231D+00 -0.853138D+01  0.852929D+01 -0.138915D+01
      3  -0.255231D+00 -0.895821D-01 -0.476708D-01 -0.138915D+01 -0.389144D-01
                16            17            18            19            20 
      1  -0.129336D+02  0.313718D+01  0.800547D+00  0.436709D+02 -0.126008D+02
      2   0.313718D+01 -0.185847D+01  0.128733D+01 -0.126008D+02  0.110279D+02
      3   0.800547D+00  0.128733D+01 -0.484704D+00  0.122694D+01 -0.204697D+01
                21            22            23            24            25 
      1   0.122694D+01 -0.230327D+02  0.414790D+01 -0.638330D+00  0.400219D+01
      2  -0.204697D+01  0.414790D+01 -0.740477D+01  0.297881D+00 -0.863294D+00
      3   0.518601D+00 -0.638330D+00  0.297881D+00 -0.156824D+01 -0.578018D+00
                26            27            28            29            30 
      1  -0.863294D+00 -0.578018D+00 -0.518555D+02  0.653778D+01  0.269362D+00
      2  -0.394651D+00 -0.292293D+01  0.653778D+01 -0.467998D+01  0.977291D-01
      3  -0.292293D+01  0.206890D+01  0.269362D+00  0.977291D-01 -0.204340D+01
                31            32            33            34            35 
      1   0.947212D+01 -0.381459D+01 -0.802568D+00 -0.462554D+01 -0.581953D+00
      2  -0.381459D+01  0.163419D+02 -0.353569D+01 -0.581953D+00 -0.291777D+01
      3  -0.802568D+00 -0.353569D+01  0.595201D+00 -0.664715D+01  0.153444D+01
                36            37            38            39            40 
      1  -0.664715D+01 -0.206837D+01 -0.167325D+01  0.493195D+00  0.109214D+02
      2   0.153444D+01 -0.167325D+01 -0.138419D+02  0.305398D+01 -0.123354D+01
      3   0.200981D+00  0.493195D+00  0.305398D+01 -0.278328D+01 -0.959132D+00
                41            42            43            44            45 
      1  -0.123354D+01 -0.959132D+00 -0.293361D+01 -0.877169D+00 -0.515965D+01
      2  -0.600467D+01  0.262224D+01 -0.877169D+00  0.373150D+01  0.217214D+01
      3   0.262224D+01  0.862444D+00 -0.515965D+01  0.217214D+01 -0.888152D+00
                46            47            48            49            50 
      1   0.803289D+01  0.147463D+01 -0.632587D+00  0.149038D+01 -0.402047D+01
      2   0.147463D+01  0.979882D+01 -0.165334D+01 -0.402047D+01  0.917619D+00
      3  -0.632587D+00 -0.165334D+01  0.216962D+01  0.120916D+01  0.148291D+01
                51            52            53            54            55 
      1   0.120916D+01 -0.461040D+00  0.122762D+01  0.730587D+00 -0.316556D+01
      2   0.148291D+01  0.122762D+01  0.141363D+01  0.398441D+01 -0.307796D+01
      3   0.777244D+00  0.730587D+00  0.398441D+01 -0.253941D+01  0.828814D+00
                56            57            58            59            60 
      1  -0.307796D+01  0.828814D+00 -0.209766D+01  0.445119D+01 -0.127924D+01
      2  -0.515957D+01  0.689147D+00  0.445119D+01 -0.292857D+01 -0.822729D+00
      3   0.689147D+00 -0.232939D+01 -0.127924D+01 -0.822729D+00 -0.712569D+00
                61            62            63            64            65 
      1   0.480025D+00 -0.132270D+01 -0.305951D+00 -0.157039D+01 -0.218278D+01
      2  -0.132270D+01 -0.871870D+00 -0.361491D+01 -0.218278D+01 -0.108944D+01
      3  -0.305951D+00 -0.361491D+01  0.242288D+01  0.562852D+00  0.280522D+00
                66            67            68            69            70 
      1   0.562852D+00 -0.308392D+01 -0.274111D+01  0.833458D+00  0.921915D+00
      2   0.280522D+00 -0.274111D+01 -0.532616D+01  0.128814D+01  0.835887D+00
      3  -0.420425D+00  0.833458D+00  0.128814D+01 -0.118514D+01 -0.312362D+00
                71            72            73            74            75 
      1   0.835887D+00 -0.312362D+00 -0.576313D+01  0.355892D+01 -0.471704D+00
      2   0.131232D+01 -0.466604D+00  0.355892D+01 -0.374153D+01  0.593562D+00
      3  -0.466604D+00  0.404547D+00 -0.471704D+00  0.593562D+00 -0.537652D+00
                76            77            78            79            80 
      1   0.407877D+01 -0.469243D+01  0.977990D+00 -0.607592D+00  0.105935D+01
      2  -0.469243D+01  0.663655D+01 -0.101084D+01  0.105935D+01 -0.122635D+01
      3   0.977990D+00 -0.101084D+01  0.955103D+00  0.247975D+00  0.463790D+00
                81            82            83            84            85 
      1   0.247975D+00  0.125088D+01  0.187397D+01 -0.509688D+00  0.845793D+00
      2   0.463790D+00  0.187397D+01  0.290836D+01 -0.739006D+00  0.191145D+01
      3  -0.354746D+00 -0.509688D+00 -0.739006D+00  0.479325D+00 -0.439523D+00
                86            87            88            89            90 
      1   0.191145D+01 -0.439523D+00 -0.267465D+00 -0.513542D+00  0.157646D+00
      2   0.989053D+01 -0.223546D+01 -0.513542D+00 -0.259691D+01  0.659171D+00
      3  -0.223546D+01  0.149701D+01  0.157646D+00  0.659171D+00 -0.433369D+00
                91            92            93            94            95 
      1   0.173012D+02 -0.180127D+01  0.368377D+00  0.527862D+01  0.110312D+01
      2  -0.180127D+01  0.162061D+01  0.713412D+00  0.110312D+01 -0.253226D+01
      3   0.368377D+00  0.713412D+00  0.259634D+01  0.621518D+00  0.216549D+01
                96            97            98            99           100 
      1   0.621518D+00 -0.357411D+01  0.158938D+01  0.768185D+01  0.878603D+01
      2   0.216549D+01  0.158938D+01  0.188789D+01 -0.229528D+00  0.251464D+00
      3   0.668610D+00  0.768185D+01 -0.229528D+00 -0.150826D+01 -0.210821D+01
               101           102           103           104           105 
      1   0.251464D+00 -0.210821D+01 -0.702993D+00 -0.192536D+01 -0.315724D+00
      2  -0.176187D+01 -0.380513D+00 -0.192536D+01 -0.214031D-01 -0.368580D+01
      3  -0.380513D+00 -0.200559D+01 -0.315724D+00 -0.368580D+01 -0.673932D+00
               106           107           108           109           110 
      1   0.609032D+01 -0.809721D+00 -0.501345D+01  0.548398D+01  0.394860D+01
      2  -0.809721D+00 -0.258403D+01 -0.132284D+00  0.394860D+01  0.166511D+01
      3  -0.501345D+01 -0.132284D+00  0.260797D+01 -0.154241D+01 -0.425035D+00
               111           112           113           114           115 
      1  -0.154241D+01  0.398962D+00  0.159460D+01 -0.136509D+01 -0.850088D+01
      2  -0.425035D+00  0.159460D+01  0.594701D+00 -0.978204D+00 -0.226069D+01
      3  -0.897992D+00 -0.136509D+01 -0.978204D+00 -0.157268D+00 -0.373378D+01
               116           117           118           119           120 
      1  -0.226069D+01 -0.373378D+01 -0.134597D+01  0.228711D+01 -0.841184D+00
      2  -0.197852D+01 -0.212141D+00  0.228711D+01 -0.200869D+01  0.854505D-01
      3  -0.212141D+00  0.628589D+00 -0.841184D+00  0.854505D-01 -0.136806D+01
               121           122           123           124           125 
      1   0.485752D+01 -0.219083D+01  0.204568D+00 -0.170529D+01  0.182085D+00
      2  -0.219083D+01  0.514733D+01 -0.115550D+01  0.182085D+00 -0.157524D+01
      3   0.204568D+00 -0.115550D+01  0.148214D+01 -0.156153D+01  0.109550D+01
               126           127           128           129           130 
      1  -0.156153D+01  0.538236D+00 -0.592566D+00  0.154409D+00 -0.210911D+01
      2   0.109550D+01 -0.592566D+00  0.931396D+00 -0.426320D+00  0.198204D+00
      3  -0.687496D+00  0.154409D+00 -0.426320D+00  0.165367D+01  0.430238D+00
               131           132           133           134           135 
      1   0.198204D+00  0.430238D+00  0.483645D+00 -0.455596D-01  0.251030D+00
      2  -0.327209D+01  0.216123D+01 -0.455596D-01  0.171520D+01 -0.127850D+01
      3   0.216123D+01 -0.290722D+01  0.251030D+00 -0.127850D+01  0.225258D+01
               136           137           138           139           140 
      1  -0.155187D+02  0.186875D+00  0.395110D+01 -0.640178D+00 -0.105080D+01
      2   0.186875D+00 -0.902356D+00 -0.260557D+00 -0.105080D+01 -0.747795D-01
      3   0.395110D+01 -0.260557D+00 -0.266400D+01  0.249045D-01  0.667425D+00
               141           142           143           144           145 
      1   0.249045D-01  0.136429D+01  0.167669D+00 -0.123444D+01 -0.267758D+00
      2   0.667425D+00  0.167669D+00  0.143295D+00 -0.458757D-01  0.709907D+00
      3  -0.168263D+00 -0.123444D+01 -0.458757D-01  0.492901D+00  0.551848D+00
               146           147           148           149           150 
      1   0.709907D+00  0.551848D+00  0.159739D+01 -0.841017D-02 -0.501253D+00
      2   0.101905D+01  0.717241D+00 -0.841017D-02  0.389995D+01  0.306892D+01
      3   0.717241D+00  0.161454D+01 -0.501253D+00  0.306892D+01  0.372267D+01
               151           152           153           154           155 
      1   0.218404D+00 -0.641248D-01  0.305592D-01 -0.158604D+02 -0.519643D+01
      2  -0.641248D-01  0.222678D+01  0.222985D+01 -0.519643D+01 -0.303677D+01
      3   0.305592D-01  0.222985D+01  0.370678D+01  0.105753D+01 -0.323400D+00
               156           157           158           159           160 
      1   0.105753D+01 -0.798492D+01 -0.592789D+01  0.812616D+00  0.170357D+01
      2  -0.323400D+00 -0.592789D+01 -0.507829D+01  0.586547D+00  0.858426D+00
      3  -0.245154D+01  0.812616D+00  0.586547D+00 -0.149870D+01 -0.213789D+01
               161           162           163           164           165 
      1   0.858426D+00 -0.213789D+01 -0.114474D+02 -0.366455D+01 -0.284907D+01
      2   0.146218D+01 -0.114081D+01 -0.366455D+01 -0.614781D+00 -0.537433D-02
      3  -0.114081D+01  0.182139D+01 -0.284907D+01 -0.537433D-02 -0.111138D+01
               166           167           168           169           170 
      1  -0.735618D+01 -0.138741D+01 -0.948134D+00  0.193734D+01  0.605975D+00
      2  -0.138741D+01 -0.129835D+01 -0.185512D+01  0.605975D+00 -0.256853D+00
      3  -0.948134D+00 -0.185512D+01 -0.238588D+01 -0.638119D+00 -0.137689D+01
               171           172           173           174           175 
      1  -0.638119D+00  0.973274D+01  0.300637D+01  0.962945D+00  0.855248D+01
      2  -0.137689D+01  0.300637D+01  0.104694D+01  0.568534D+00  0.153744D+01
      3  -0.707875D+01  0.962945D+00  0.568534D+00  0.267936D+01  0.136471D+01
               176           177           178           179           180 
      1   0.153744D+01  0.136471D+01  0.366876D+01  0.690985D+00  0.158448D+01
      2   0.587954D+00 -0.413675D+00  0.690985D+00 -0.107802D+01  0.672722D+00
      3  -0.413675D+00  0.173527D+01  0.158448D+01  0.672722D+00 -0.163407D+01
               181           182           183           184           185 
      1   0.397757D+01  0.169226D+01 -0.320439D+00 -0.142231D+02  0.384272D+01
      2   0.169226D+01  0.993015D+01 -0.225154D+01  0.384272D+01  0.236227D+01
      3  -0.320439D+00 -0.225154D+01  0.284894D+01  0.694090D+00 -0.199827D+01
               186           187           188           189           190 
      1   0.694090D+00  0.362884D+01 -0.303997D+00  0.378172D+01  0.360009D+02
      2  -0.199827D+01 -0.303997D+00 -0.278455D+01 -0.246267D+01 -0.823216D+01
      3  -0.103683D+01  0.378172D+01 -0.246267D+01  0.117487D+01  0.641933D+00
               191           192           193           194           195 
      1  -0.823216D+01  0.641933D+00 -0.548985D+01  0.400760D+01  0.105682D+01
      2   0.954808D+01 -0.105319D+01  0.400760D+01 -0.130846D+02  0.272229D+01
      3  -0.105319D+01  0.377663D+01  0.105682D+01  0.272229D+01 -0.733600D+00
               196           197           198           199           200 
      1  -0.531453D-01  0.115669D+01  0.672100D+01 -0.375928D+02  0.133914D+02
      2   0.115669D+01  0.195901D+01 -0.184384D+01  0.133914D+02 -0.918155D+01
      3   0.672100D+01 -0.184384D+01 -0.293761D+00 -0.110158D+01  0.175912D+01
               201           202           203           204           205 
      1  -0.110158D+01  0.203073D+02 -0.668851D+01  0.756085D+00 -0.237671D+01
      2   0.175912D+01 -0.668851D+01  0.783411D+01  0.115130D+00  0.124586D+01
      3  -0.553032D+00  0.756085D+00  0.115130D+00  0.189079D+01  0.467696D+00
               206           207           208           209           210 
      1   0.124586D+01  0.467696D+00 -0.676805D+01  0.459067D+01 -0.784508D+00
      2   0.896201D+00  0.412724D+01  0.459067D+01 -0.434054D+01  0.790124D+00
      3   0.412724D+01 -0.268748D+01 -0.784508D+00  0.790124D+00 -0.238579D+00
               211           212           213           214           215 
      1  -0.196106D+01  0.386868D+01 -0.805013D+00  0.954903D+00 -0.108356D+01
      2   0.386868D+01  0.442747D+00 -0.471171D+00 -0.108356D+01  0.456464D+00
      3  -0.805013D+00 -0.471171D+00 -0.102997D+01  0.643591D+00  0.611876D+00
               216           217           218           219           220 
      1   0.643591D+00 -0.341824D+00 -0.444974D+01  0.987716D+00 -0.251243D+01
      2   0.611876D+00 -0.444974D+01  0.215839D+01  0.106859D+00 -0.224478D+01
      3  -0.683318D-01  0.987716D+00  0.106859D+00 -0.470763D-01  0.505694D+00
               221           222           223           224           225 
      1  -0.224478D+01  0.505694D+00  0.312267D+00  0.560583D+00 -0.270951D+01
      2   0.282465D+01  0.215744D+01  0.560583D+00  0.157948D+01  0.419081D+01
      3   0.215744D+01  0.548792D+01 -0.270951D+01  0.419081D+01 -0.343517D+01
               226           227           228           229           230 
      1  -0.848523D+00 -0.165729D+01  0.454220D+00 -0.574292D+00 -0.132493D+01
      2  -0.165729D+01 -0.247526D+01  0.649316D+00 -0.132493D+01 -0.854603D+01
      3   0.454220D+00  0.649316D+00 -0.439563D+00  0.328295D+00  0.194160D+01
               231           232           233           234           235 
      1   0.328295D+00  0.215034D+00  0.443779D+00 -0.176768D-01  0.584469D+01
      2   0.194160D+01  0.443779D+00  0.217086D+01 -0.602832D+00 -0.309853D+01
      3  -0.139380D+01 -0.176768D-01 -0.602832D+00  0.413916D+00  0.366390D+00
               236           237           238           239           240 
      1  -0.309853D+01  0.366390D+00 -0.475799D+01  0.448453D+01 -0.953028D+00
      2   0.281020D+01 -0.427893D+00  0.448453D+01 -0.567256D+01  0.933450D+00
      3  -0.427893D+00  0.349114D+00 -0.953028D+00  0.933450D+00 -0.830943D+00
               241           242           243           244           245 
      1   0.721085D+00 -0.992221D+00 -0.278229D+00  0.180403D+01  0.289906D+01
      2  -0.992221D+00  0.116971D+01 -0.221665D+00  0.289906D+01  0.224711D+01
      3  -0.278229D+00 -0.221665D+00  0.250172D+00 -0.770495D+00 -0.605031D+00
               246           247           248           249           250 
      1  -0.770495D+00  0.367935D+01  0.356330D+01 -0.963087D+00 -0.977140D+00
      2  -0.605031D+00  0.356330D+01  0.713988D+01 -0.170079D+01 -0.990178D+00
      3   0.643400D+00 -0.963087D+00 -0.170079D+01  0.138909D+01  0.520286D+00
               251           252           253           254           255 
      1  -0.990178D+00  0.520286D+00 -0.788317D+00  0.845716D-01 -0.741555D+00
      2  -0.184246D+01  0.493990D+00  0.845716D-01 -0.688053D+00 -0.635324D-01
      3   0.493990D+00 -0.426115D+00 -0.741555D+00 -0.635324D-01 -0.544688D+00
               256           257           258           259           260 
      1  -0.279938D+01  0.282987D+01  0.149347D+01 -0.359761D+01  0.187684D+01
      2   0.282987D+01 -0.507899D+01 -0.287585D+01  0.187684D+01 -0.316557D+01
      3   0.149347D+01 -0.287585D+01 -0.284429D+01  0.224019D+01 -0.293884D+01
               261           262           263           264           265 
      1   0.224019D+01  0.141867D-01  0.235052D+00  0.105431D+01 -0.103748D+01
      2  -0.293884D+01  0.235052D+00 -0.450862D+00 -0.254410D+00  0.148606D+01
      3  -0.303292D+01  0.105431D+01 -0.254410D+00 -0.443281D-01 -0.119435D+01
               266           267           268           269           270 
      1   0.148606D+01 -0.119435D+01  0.536852D+01 -0.188067D+01  0.383200D+01
      2  -0.175008D+01  0.137252D+01 -0.188067D+01  0.186636D+01 -0.266246D+01
      3   0.137252D+01 -0.227766D+01  0.383200D+01 -0.266246D+01  0.660822D+01
               271           272           273           274           275 
      1   0.151336D+02  0.145441D+01 -0.113343D+01  0.525906D+01  0.145076D+01
      2   0.145441D+01  0.956859D+00 -0.571566D-01  0.145076D+01  0.110642D+01
      3  -0.113343D+01 -0.571566D-01  0.125639D+01 -0.288115D+00 -0.363703D+00
               276           277           278           279 
      1  -0.288115D+00 -0.204647D+01 -0.892355D-01  0.169305D+01
      2  -0.363703D+00 -0.892355D-01 -0.465103D+00 -0.199055D+00
      3   0.364353D+00  0.169305D+01 -0.199055D+00 -0.225644D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.260028D+01  0.252206D+01 -0.288040D+00  0.219530D+01 -0.890114D+00
      2   0.263447D+01  0.910167D+01 -0.122564D+01  0.727657D+01 -0.744680D+01
      3  -0.186891D+02  0.429343D+02 -0.995814D+01  0.221504D+02 -0.300581D+02
                 6             7             8             9            10 
      1  -0.228943D+00 -0.525008D+01  0.836540D+01 -0.179384D+01 -0.374266D+00
      2   0.195913D+01 -0.210239D+02  0.402664D+01 -0.214197D-01 -0.211799D+01
      3   0.623794D+01  0.142074D+01  0.347150D+01 -0.455072D+00  0.304730D+02
                11            12            13            14            15 
      1   0.339470D+01 -0.115287D+01 -0.207894D+00  0.991040D+00  0.631845D+00
      2   0.100148D+02 -0.721425D+01  0.570695D+01 -0.625319D+01  0.102899D+01
      3   0.365227D+02 -0.955430D+01  0.743713D+02 -0.333867D+02  0.402729D+01
                16            17            18            19            20 
      1  -0.557728D+01  0.714879D+01 -0.162321D+01 -0.355616D+01 -0.648859D+00
      2  -0.232496D+02  0.353866D+01  0.640224D+00 -0.538361D+01 -0.730761D+01
      3  -0.144163D+02  0.467549D+01 -0.660187D+00  0.172424D+02 -0.384907D+02
                21            22            23            24            25 
      1   0.945851D-01 -0.110148D+01  0.977939D-01 -0.111352D+01 -0.646852D+01
      2   0.125144D+01 -0.242006D+01  0.267023D+01  0.766374D+00 -0.186182D+02
      3   0.911072D+01 -0.120001D+02  0.529000D+01 -0.229697D+01  0.879522D+01
                26            27            28            29            30 
      1   0.322712D+01 -0.120874D+01 -0.102312D+01  0.165555D+01  0.737701D+00
      2   0.760893D+01 -0.175294D+01  0.350368D+00  0.308938D+01  0.265999D-01
      3  -0.230605D+01 -0.106044D+01 -0.425290D+02  0.134970D+02 -0.178294D+01
                31            32            33            34            35 
      1   0.556006D+01  0.517547D+01  0.161144D+00  0.474067D+01  0.134544D+02
      2   0.371516D+01 -0.848432D+00  0.322842D-01 -0.148209D+02  0.140704D+01
      3   0.362502D+02 -0.854936D+01 -0.503782D+00 -0.460249D+01 -0.224340D+01
                36            37            38            39            40 
      1  -0.286654D+01 -0.340984D+00  0.782619D+00  0.677215D+01  0.265715D+01
      2   0.739805D+00 -0.548492D+01  0.108393D+01  0.168951D+01 -0.290198D+01
      3  -0.398066D+01 -0.189671D+02  0.392300D+01 -0.126313D+01  0.898281D+01
                41            42            43            44            45 
      1  -0.488225D+00 -0.174945D+01  0.176565D+02  0.421862D+01 -0.159405D+01
      2  -0.345489D+01 -0.108494D+01 -0.712447D+01 -0.753160D+01  0.204851D+01
      3  -0.208860D+01 -0.841161D+00 -0.326701D+01  0.122033D+00 -0.700544D+01
                46            47            48            49            50 
      1   0.311152D+00 -0.298609D+01 -0.589969D+01 -0.279995D+01 -0.399652D+00
      2   0.804032D+01 -0.734195D+01  0.191304D+01 -0.711044D+01  0.730688D+01
      3   0.384430D+02 -0.307961D+02  0.615538D+01 -0.101395D+02  0.262786D+02
                51            52            53            54            55 
      1  -0.279777D+01 -0.863299D+01 -0.496427D+01  0.381434D+01  0.760791D+00
      2  -0.154617D+01 -0.155635D+02 -0.379838D+00  0.207814D+01  0.736544D+01
      3  -0.442256D+01  0.485159D+01 -0.334854D+01  0.532846D+01  0.376043D+02
                56            57            58            59            60 
      1  -0.435489D+01 -0.465679D+01 -0.132051D+01  0.666579D+00 -0.188894D+01
      2  -0.943832D+01 -0.401788D+01 -0.709734D+01  0.647211D+01 -0.223364D+01
      3  -0.343585D+02  0.878820D+01 -0.789400D+01  0.332728D+02 -0.482791D+01
                61            62            63            64            65 
      1  -0.732885D+01 -0.238909D+01  0.187795D+01 -0.335395D+00 -0.573451D+00
      2  -0.216530D+02 -0.251317D+01  0.539274D+01  0.815119D+00  0.639037D+00
      3   0.630489D+01 -0.286968D+01  0.103287D+02  0.741761D+00 -0.400888D+00
                66            67            68            69            70 
      1  -0.141931D+01 -0.817015D+00 -0.166556D+01 -0.304887D+01 -0.861698D+00
      2   0.308705D+00  0.119184D+01 -0.499738D+00  0.192225D+01 -0.256214D+01
      3   0.221597D+00  0.369864D+01 -0.560397D+01  0.130325D+01 -0.649505D-01
                71            72            73            74            75 
      1   0.259412D+01  0.372581D+00 -0.364924D+00  0.379483D+00  0.268346D+01
      2  -0.828084D+00  0.163270D-02 -0.163657D+01  0.243138D-01  0.190716D+01
      3   0.133987D+01  0.391537D+00 -0.104965D+02  0.116362D+01 -0.127838D+00
                76            77            78            79            80 
      1  -0.129173D+01  0.328020D+00 -0.393692D+01 -0.304755D+01  0.126759D+01
      2  -0.483726D+00  0.319904D+00 -0.263938D+01 -0.231222D+01 -0.106091D+00
      3   0.427410D+01  0.737845D+00  0.786667D+00  0.450051D+00 -0.138452D+00
                81            82            83            84            85 
      1   0.738830D+00  0.647549D+00  0.333411D+00 -0.197254D+01  0.589766D+00
      2   0.894733D+00  0.127075D+01  0.586142D+00  0.683519D+00  0.982199D+00
      3   0.121036D+01  0.626568D+01  0.259166D+01 -0.116409D+01  0.547814D+01
                86            87            88            89            90 
      1   0.120019D+01 -0.556373D+01  0.107964D+01  0.241950D+01  0.725796D+00
      2   0.113626D+01  0.103674D+01 -0.130965D+01  0.489526D+00 -0.698714D+00
      3   0.372273D+01 -0.145032D+01 -0.126907D+01 -0.169746D+01 -0.349918D+00
                91            92            93            94            95 
      1   0.318742D+01  0.964452D+00 -0.164532D+01  0.654644D+01  0.520526D+00
      2  -0.547771D+01 -0.171105D+01 -0.531596D+01 -0.167847D+01 -0.985582D+01
      3   0.160942D+02  0.320227D+00  0.189678D+01  0.242398D+02 -0.154930D+02
                96            97            98            99           100 
      1  -0.243369D+01 -0.170147D+01  0.528938D+01  0.710323D+00  0.400967D+01
      2  -0.169022D+00 -0.336463D+02  0.119437D+01  0.393472D+01 -0.997130D+01
      3   0.975644D+01 -0.718374D+00  0.136240D+02  0.690248D+01  0.542545D+01
               101           102           103           104           105 
      1  -0.675002D+01  0.833168D+00 -0.290857D+01  0.449530D+00 -0.123667D+02
      2  -0.104399D+01  0.165262D+02 -0.273879D+01  0.197685D+02  0.279715D+01
      3  -0.150655D+02 -0.263395D+00 -0.949600D+01  0.179046D+01 -0.165246D+02
               106           107           108           109           110 
      1   0.311178D+01 -0.664792D+01 -0.347866D+01 -0.470839D+01  0.269955D+01
      2   0.180361D+02 -0.311629D+00 -0.520444D+01  0.106975D+02  0.531672D+01
      3   0.738628D+01 -0.154270D+02 -0.497321D+01 -0.725950D+01  0.769054D+01
               111           112           113           114           115 
      1   0.109967D+02 -0.102448D+02 -0.745319D+01 -0.498318D+01  0.971852D+01
      2   0.304439D+01  0.738785D+01  0.423933D+01 -0.117282D+02  0.667375D+01
      3  -0.743887D+01  0.524942D+01  0.186378D+02 -0.294083D+01 -0.185181D+02
               116           117           118           119           120 
      1   0.132058D+01  0.589216D+01  0.144093D+01 -0.102685D+01  0.112708D+01
      2  -0.218101D+01  0.271694D+01  0.397018D+01 -0.129699D+01  0.589640D+01
      3  -0.103494D+02 -0.445546D+01  0.950438D+01 -0.732197D+01  0.416501D-01
               121           122           123           124           125 
      1  -0.121690D+01  0.171410D+01 -0.292632D+01  0.110727D+01 -0.126963D+00
      2  -0.157997D+01  0.517553D+01 -0.570187D+01  0.318060D+01 -0.388352D+01
      3   0.136269D-01  0.185159D+02 -0.455923D+01 -0.128962D+01 -0.647934D+01
               126           127           128           129           130 
      1   0.650361D+00 -0.258957D+01  0.338234D+01 -0.880975D+00  0.143135D+01
      2   0.265322D+01 -0.423427D+01  0.376533D+01 -0.610654D+01  0.384507D+01
      3   0.257272D+01 -0.482919D+01  0.462166D+01 -0.218867D+01  0.377072D+01
               131           132           133           134           135 
      1  -0.906586D+01  0.349066D+01 -0.348699D+00  0.549788D+01 -0.295613D+01
      2  -0.101843D+02  0.105930D+02 -0.268695D+01  0.508241D+01 -0.903750D+01
      3  -0.135467D+02  0.909411D+01 -0.155354D+00  0.615736D+01 -0.531126D+01
               136           137           138           139           140 
      1  -0.264035D+01 -0.294442D+01  0.727606D+00 -0.229688D+01 -0.109162D+01
      2   0.974787D+01  0.954603D+00  0.838197D+01  0.824715D+00 -0.884458D+00
      3  -0.759301D+01 -0.675527D+01  0.978917D+00 -0.386682D+01 -0.116391D+01
               141           142           143           144           145 
      1   0.362176D+00 -0.755288D-01  0.150075D+01 -0.323513D+00  0.168580D+01
      2   0.112194D+01  0.858309D+00  0.103096D+01  0.291054D+00 -0.387701D+01
      3   0.235287D+01 -0.507301D+00  0.298564D+01 -0.130111D+01  0.303309D+01
               146           147           148           149           150 
      1   0.322170D+01  0.129415D+00  0.179008D+01  0.796023D+01  0.262288D+01
      2  -0.399326D+01 -0.666711D+01 -0.235877D+01 -0.127607D+02 -0.135715D+02
      3   0.453616D+01  0.252321D+01  0.362488D+01  0.142894D+02  0.106761D+02
               151           152           153           154           155 
      1  -0.499272D+00  0.550176D+01  0.270879D+01  0.413720D+01 -0.351210D+00
      2  -0.342311D+01 -0.881213D+01 -0.138967D+02 -0.112676D+02 -0.129884D+01
      3  -0.596916D+00  0.811260D+01  0.815638D+01 -0.758249D+01 -0.207488D+02
               156           157           158           159           160 
      1  -0.739390D+01  0.695098D+01  0.452047D+01 -0.559255D+01 -0.374567D+01
      2   0.192817D+02 -0.248945D+01 -0.532968D+01  0.133598D+02  0.474429D+01
      3  -0.616688D+00 -0.176882D+02 -0.276024D+02  0.136440D+01  0.477265D+01
               161           162           163           164           165 
      1   0.105663D+01  0.269739D+01  0.648175D+01  0.312708D+01 -0.384343D+01
      2   0.370315D+01 -0.107257D+02 -0.121717D+02 -0.650871D+01  0.329852D+01
      3   0.712206D+01 -0.279132D+01 -0.980170D+01 -0.465026D+01  0.158648D+01
               166           167           168           169           170 
      1   0.896507D+01  0.554461D+01  0.326430D+00 -0.270588D+01  0.670954D+01
      2  -0.117785D+02  0.457126D+01  0.974126D+01 -0.150198D+01  0.494885D+01
      3  -0.104606D+01 -0.646866D+01 -0.100141D+02  0.687385D+01 -0.189679D+01
               171           172           173           174           175 
      1  -0.459597D+01 -0.856739D+01 -0.417660D+01  0.144560D+01 -0.103968D+02
      2   0.225645D+02  0.210478D+02  0.483234D+01 -0.772266D+01  0.110803D+02
      3  -0.455839D+01  0.220832D+01  0.330417D+01  0.286482D+01  0.101384D+02
               176           177           178           179           180 
      1  -0.431037D+01 -0.104677D+01  0.980687D+00  0.345220D+00 -0.126499D+01
      2   0.442169D+01 -0.540643D+01 -0.335927D+01 -0.126828D+01  0.642231D+01
      3   0.173469D+01  0.111253D+01  0.244233D+01  0.122960D+01  0.410072D+00
               181           182           183           184           185 
      1   0.120155D+00  0.366181D+01  0.547288D+01  0.226526D+01  0.526113D+00
      2  -0.626203D+01  0.236295D+01  0.736704D+01 -0.469856D+01 -0.625265D+01
      3  -0.242198D+02  0.648176D+01 -0.240172D+01 -0.225368D+02 -0.796662D+01
               186           187           188           189           190 
      1  -0.217711D+01  0.111764D+02  0.410249D+01 -0.220652D+01 -0.128790D+01
      2  -0.210885D+01 -0.486727D+01 -0.105019D+02  0.290402D+01 -0.415890D+01
      3   0.441419D+01  0.772490D+01  0.430896D+01 -0.838456D+00  0.803471D+01
               191           192           193           194           195 
      1   0.286446D+01 -0.292070D+01  0.328600D+01  0.156889D+01  0.269730D+01
      2   0.578105D+01 -0.917387D+00  0.123619D+02 -0.229249D+01 -0.830481D+00
      3   0.178442D+02 -0.442582D+01  0.459364D+02 -0.934199D+01  0.365032D+00
               196           197           198           199           200 
      1   0.193492D+00  0.142937D+02 -0.419801D+01 -0.369753D+00 -0.289786D+01
      2  -0.141108D+01  0.299535D+01 -0.849839D+00 -0.188654D+01 -0.677956D+01
      3  -0.118611D+02  0.317918D+00  0.401472D+01 -0.319404D+02 -0.271800D+02
               201           202           203           204           205 
      1   0.105400D+01 -0.296365D+01  0.195953D+01 -0.333152D+01 -0.834477D+01
      2   0.506020D+01 -0.541511D+01  0.935905D+01  0.183656D+01 -0.150931D+02
      3   0.713240D+01  0.724737D+01  0.118089D+02 -0.613531D+01  0.437833D+01
               206           207           208           209           210 
      1   0.309522D+01  0.631534D+00  0.147107D+01 -0.264190D+01  0.402291D+01
      2   0.160538D+02 -0.639651D+01  0.265959D+01 -0.777697D+01  0.159307D+02
      3  -0.770022D+01 -0.633737D+01  0.334519D+01 -0.445107D+02  0.675649D+01
               211           212           213           214           215 
      1   0.247350D+00 -0.203737D+01 -0.541287D+01  0.168610D+01 -0.162268D+01
      2  -0.334350D+01 -0.262810D+01 -0.624160D+01 -0.473562D+01  0.300382D+01
      3  -0.789149D+01 -0.334754D+01  0.262941D+01  0.273972D+01  0.269042D+01
               216           217           218           219           220 
      1   0.143558D+01  0.442882D+00  0.111325D+01 -0.119632D+01 -0.142415D+01
      2  -0.328784D+00  0.703944D+01  0.389773D+01 -0.177362D+01  0.476618D+01
      3  -0.361233D+01  0.338476D+02  0.461578D+01 -0.527041D+01  0.248620D+02
               221           222           223           224           225 
      1   0.292870D+01  0.755021D+01 -0.137864D+02  0.983981D+01 -0.468184D+01
      2   0.930878D+01  0.350956D+02 -0.197466D+02  0.272927D+02 -0.221304D+02
      3  -0.340349D+02 -0.109026D+02 -0.504533D+01 -0.797816D+01 -0.268255D+02
               226           227           228           229           230 
      1   0.135089D+00 -0.324391D+00 -0.159356D+01 -0.144978D-01 -0.857346D+00
      2   0.212477D+01  0.164193D+01 -0.213177D+00  0.144351D+01  0.428272D+01
      3   0.808782D+01  0.521971D+01 -0.177950D+01  0.581874D+01  0.168013D+02
               231           232           233           234           235 
      1  -0.430251D+01  0.642841D+00  0.309993D+01  0.347343D+00 -0.934143D+00
      2  -0.139697D+01 -0.722318D+00 -0.112851D+01  0.174495D+00 -0.224177D+01
      3  -0.427890D+01 -0.196158D+01 -0.460282D+01  0.713708D+00 -0.474692D+01
               236           237           238           239           240 
      1   0.715953D+00  0.163447D+01 -0.287087D+00 -0.603938D+00 -0.305594D+01
      2  -0.191694D+00  0.152345D+01 -0.111158D+01  0.170877D+01 -0.342401D+01
      3  -0.435295D+01  0.988956D+00 -0.399453D+01  0.131482D+02 -0.172429D+01
               241           242           243           244           245 
      1  -0.269175D+01  0.155296D+01  0.519858D+00  0.109036D+00 -0.184951D+00
      2  -0.256237D+01 -0.148693D+00  0.120636D+01 -0.128234D+01 -0.107508D+01
      3   0.219753D+01 -0.274190D+01  0.144091D+01 -0.403055D+01 -0.439550D+01
               246           247           248           249           250 
      1  -0.159505D+01  0.219472D+00 -0.384140D+00 -0.377718D+01 -0.411837D-01
      2   0.236384D+01 -0.129968D+01 -0.394797D+01  0.463798D+01 -0.167031D+01
      3   0.932151D+00 -0.175845D+01 -0.171173D+02  0.369404D+01  0.116600D+01
               251           252           253           254           255 
      1   0.193557D+01  0.608842D+00  0.549315D+00 -0.300874D+00 -0.132615D+01
      2   0.639595D+00 -0.992313D+00 -0.541610D+01 -0.572016D+00 -0.233131D+01
      3   0.446117D+01 -0.568852D+00  0.224511D+01  0.290936D+01  0.131448D+01
               256           257           258           259           260 
      1   0.174462D+01 -0.190793D+01 -0.521928D+01  0.319302D+01 -0.130121D+01
      2   0.570906D+01 -0.143003D+02 -0.166077D+02  0.919792D+01 -0.166657D+02
      3  -0.130010D+02  0.342971D+02  0.156669D+02 -0.708878D+01  0.196779D+02
               261           262           263           264           265 
      1  -0.471580D+01  0.425160D-01 -0.245690D+00 -0.533090D+00 -0.959977D+00
      2  -0.162592D+02  0.763487D+01 -0.169072D+01  0.275250D+00 -0.602606D+01
      3   0.168892D+02  0.202912D+00  0.838465D+00  0.851721D+00 -0.770768D+01
               266           267           268           269           270 
      1   0.109737D+01 -0.348581D+01  0.501741D+01 -0.171716D+00  0.815543D+01
      2   0.822436D+01 -0.138553D+02  0.171853D+02 -0.166564D+02  0.390064D+02
      3   0.142040D+02 -0.852187D+01  0.751434D+01 -0.137365D+02  0.162884D+02
               271           272           273           274           275 
      1  -0.104025D+01 -0.410369D+00  0.586048D+00 -0.175835D+00 -0.506216D+00
      2  -0.654949D+01 -0.652792D+00  0.100209D+02 -0.175930D+01 -0.202587D+01
      3  -0.210693D+02 -0.107302D+02  0.167813D+01 -0.115003D+02 -0.780483D+01
               276           277           278           279 
      1  -0.648024D+00  0.175898D+01  0.129894D+00  0.341162D-01
      2   0.261699D+01  0.820133D+01 -0.105459D+01 -0.135273D+01
      3   0.244070D+01  0.234391D+01  0.321908D+01  0.437346D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.968887D+02  0.553493D+02 -0.913003D+01 -0.815418D+02 -0.257363D+01
      2   0.523962D+02 -0.350336D+02  0.586885D+01  0.460792D+02  0.365751D+01
      3   0.444925D+02 -0.203157D+02  0.326118D+01  0.354626D+02 -0.108389D+01
      4   0.567454D+02 -0.637472D+01 -0.110694D+01 -0.610718D+01 -0.368768D+01
      5  -0.180373D+02  0.775155D+00  0.139369D+01 -0.261222D+01  0.303619D+01
      6   0.156774D+01  0.135744D+01  0.541969D+00  0.216806D+01 -0.290027D+01
                 6             7             8             9            10 
      1   0.267465D+01  0.258344D+02 -0.521698D+01 -0.103192D+02  0.112443D+03
      2  -0.380055D+01 -0.126365D+02  0.248508D+01 -0.870303D+00 -0.539583D+02
      3   0.112589D+01 -0.131979D+02  0.273190D+01  0.111895D+02 -0.584847D+02
      4   0.169681D+01 -0.201983D+01  0.139758D+01  0.780650D+00 -0.280201D+02
      5   0.302125D+00  0.204036D+01 -0.194088D+01  0.398276D+00  0.873127D+01
      6   0.976848D+00  0.161409D+01  0.352457D+01  0.176646D+01 -0.660816D+01
                11            12            13            14            15 
      1  -0.150556D+02 -0.427201D+01  0.832975D+02 -0.322858D+02  0.121328D+01
      2   0.893644D+01  0.122788D+01 -0.398259D+02  0.277613D+02 -0.540415D+01
      3   0.611920D+01  0.304413D+01 -0.434716D+02  0.452444D+01  0.419087D+01
      4   0.494081D+01 -0.189438D+01 -0.163217D+02  0.158837D+02 -0.238770D+01
      5  -0.658788D+01 -0.831191D+01  0.801479D+01 -0.315594D+01  0.227237D+00
      6   0.180033D+01  0.119352D+01 -0.263316D+01 -0.356733D+01 -0.427826D+00
                16            17            18            19            20 
      1  -0.279453D+02  0.693459D+01 -0.876808D+01  0.604592D+02 -0.600406D+02
      2   0.144078D+02 -0.559163D+01  0.392571D+00 -0.337693D+02  0.436135D+02
      3   0.135375D+02 -0.134296D+01  0.837551D+01 -0.266900D+02  0.164272D+02
      4   0.641415D+01 -0.263052D+01  0.372752D+01 -0.520743D+02  0.469043D+01
      5  -0.280652D+01  0.395844D+01  0.367587D+00  0.192213D+02 -0.104762D+01
      6   0.455721D+01  0.551108D+01  0.149286D+01 -0.209841D+01 -0.187114D+01
                21            22            23            24            25 
      1   0.110338D+02  0.457305D+01  0.351156D+02 -0.804857D+01 -0.468099D+01
      2  -0.775161D+01 -0.142783D+02 -0.346119D+02  0.849590D+01  0.664657D+01
      3  -0.328221D+01  0.970524D+01 -0.503736D+00 -0.447325D+00 -0.196557D+01
      4   0.797137D-02  0.236772D+02 -0.595905D+01  0.455823D+01 -0.394164D+01
      5  -0.453247D+01 -0.927041D+01  0.614062D+01  0.636242D+01  0.433739D+01
      6   0.158757D+01  0.928661D+01  0.884103D+01  0.927480D+00  0.163286D+01
                26            27            28            29            30 
      1  -0.450913D+01 -0.607323D+01  0.377054D+01  0.832486D+01  0.114687D+01
      2   0.812790D+01 -0.811096D+01 -0.185336D+02 -0.999268D+01 -0.670601D-01
      3  -0.361877D+01  0.141842D+02  0.147631D+02  0.166782D+01 -0.107980D+01
      4   0.623756D+01  0.250939D+01  0.206606D+02  0.111855D+02  0.277743D+00
      5   0.896061D+01 -0.292638D+01 -0.193401D+02  0.270678D+01  0.897727D+01
      6   0.357942D+01  0.101312D+01  0.117864D+02  0.448264D-01 -0.316468D+01
                31            32            33            34            35 
      1   0.233753D+02 -0.738256D+02  0.133970D+02 -0.806730D+01  0.163419D+02
      2  -0.173652D+02  0.685242D+02 -0.170668D+02  0.320515D+01 -0.164126D+02
      3  -0.601012D+01  0.530133D+01  0.366979D+01  0.486215D+01  0.706760D-01
      4  -0.385716D+02  0.226263D+01  0.224278D+01  0.201989D+02  0.195001D+01
      5   0.147857D+02  0.135111D+01 -0.157583D+01  0.324969D+02 -0.514049D+01
      6   0.121584D+01 -0.996638D+01  0.223581D+00 -0.609159D+01  0.730080D+01
                36            37            38            39            40 
      1  -0.282317D+01 -0.525014D+01  0.732707D+02 -0.177587D+02 -0.185341D+02
      2  -0.470986D+01  0.613793D+00 -0.604436D+02  0.963782D+01  0.215169D+02
      3   0.753304D+01  0.463635D+01 -0.128272D+02  0.812084D+01 -0.298278D+01
      4   0.243963D+01  0.317718D+01 -0.204040D+02  0.366510D+01  0.101190D+02
      5  -0.109258D-01 -0.251817D+00 -0.150769D+00  0.500394D+01  0.570590D+01
      6   0.521158D+01 -0.328466D+01  0.630915D+01 -0.139831D+02 -0.136631D+02
                41            42            43            44            45 
      1   0.341509D+02 -0.119739D+02  0.709246D+01 -0.172067D+02 -0.105612D+02
      2  -0.347002D+02  0.103560D+02 -0.137266D+02  0.196064D+02  0.130695D+01
      3   0.549307D+00  0.161790D+01  0.663419D+01 -0.239968D+01  0.925427D+01
      4   0.900038D+01 -0.784721D+01  0.467283D+01 -0.621118D+01 -0.839308D+01
      5  -0.888046D+01 -0.511020D+01  0.211885D+02 -0.685656D+01  0.445904D+01
      6   0.107367D+02  0.211562D+01 -0.190249D+02  0.131755D+02  0.552822D+00
                46            47            48            49            50 
      1   0.537054D+01 -0.514406D+02  0.100873D+02  0.236097D+02 -0.250520D+01
      2  -0.546523D+01  0.446293D+02 -0.423980D+01 -0.196688D+02 -0.452862D+01
      3   0.946834D-01  0.681128D+01 -0.584750D+01 -0.394094D+01  0.703383D+01
      4   0.957600D+01 -0.490620D+01  0.179869D+01 -0.212338D+01 -0.112159D+02
      5  -0.859682D+00  0.554037D+01 -0.230271D+01  0.100623D+01  0.270552D+01
      6   0.444927D+01 -0.157926D+01  0.107128D+02  0.395909D+01  0.140604D+02
                51            52            53            54            55 
      1  -0.741296D+01 -0.634413D+01 -0.345925D+01 -0.239623D+02  0.101865D+02
      2   0.958047D+01  0.762319D+01  0.142787D+02  0.101420D+02 -0.742777D+01
      3  -0.216751D+01 -0.127906D+01 -0.108195D+02  0.138203D+02 -0.275868D+01
      4   0.539037D+01  0.240042D+01  0.729300D+01  0.539456D+01 -0.375850D+02
      5   0.291500D+00  0.493260D+01  0.658961D+00  0.896708D-02  0.697660D+01
      6   0.385832D+01  0.304541D+01  0.228744D+02 -0.806719D+01  0.309311D+01
                56            57            58            59            60 
      1  -0.563010D+02  0.109234D+02 -0.102891D+01  0.256892D+02 -0.116055D+02
      2   0.360611D+02 -0.259043D+01 -0.395645D+01 -0.204342D+02  0.100468D+02
      3   0.202399D+02 -0.833298D+01  0.498536D+01 -0.525502D+01  0.155877D+01
      4  -0.284343D+02  0.624595D+01  0.329887D+02 -0.175930D+02  0.132517D+00
      5   0.727750D+01 -0.145247D+02 -0.838795D+01  0.673103D+00 -0.363250D+00
      6  -0.140814D+00  0.927161D+01  0.274853D+01  0.110168D+02  0.242755D+01
                61            62            63            64            65 
      1  -0.147325D+01 -0.819890D+01 -0.203713D+02  0.289627D+01 -0.114752D+01
      2   0.248969D+01  0.149119D+02  0.311754D+01 -0.903727D+00  0.188847D+01
      3  -0.101644D+01 -0.671305D+01  0.172538D+02 -0.199255D+01 -0.740956D+00
      4  -0.590235D+01  0.237843D+01 -0.964703D+01  0.672060D+01  0.900956D+01
      5   0.157240D+01 -0.116229D+02  0.854712D+01 -0.197185D+01 -0.219551D+01
      6   0.403058D+00  0.159593D+02 -0.529670D+01 -0.136096D+01 -0.121640D+01
                66            67            68            69            70 
      1   0.333597D+00 -0.390026D+01 -0.165737D+02  0.448746D+01  0.544717D+00
      2   0.123608D+00  0.512993D+01  0.179354D+02 -0.190496D+01 -0.307497D-01
      3  -0.457205D+00 -0.122967D+01 -0.136165D+01 -0.258250D+01 -0.513967D+00
      4  -0.165960D+01  0.119771D+02  0.169389D+02 -0.361046D+01 -0.309428D+01
      5   0.282745D+01 -0.359530D+01 -0.377071D+01  0.401634D+01  0.182802D+01
      6   0.116152D+01 -0.276908D+01 -0.672626D+01  0.559723D+01  0.215594D+01
                71            72            73            74            75 
      1   0.306268D+01 -0.376748D+01  0.237993D+01  0.615351D+01 -0.116424D+01
      2  -0.253048D+01  0.246221D+01  0.966670D+01 -0.166279D+02  0.190426D+01
      3  -0.532202D+00  0.130527D+01 -0.120466D+02  0.104744D+02 -0.740020D+00
      4  -0.425602D+01  0.234037D+01 -0.286446D+02  0.254967D+02 -0.386479D+01
      5   0.782870D+00 -0.160593D+01  0.412091D+01 -0.400730D+01  0.428716D+01
      6   0.343752D+01 -0.274115D+01 -0.259964D+01  0.312233D+01 -0.400510D+01
                76            77            78            79            80 
      1   0.101281D+02 -0.223613D+02  0.382309D+01 -0.270799D+01  0.451337D+01
      2  -0.218810D+02  0.389079D+02 -0.466342D+01  0.554942D+01 -0.678377D+01
      3   0.117529D+02 -0.165466D+02  0.840329D+00 -0.284142D+01  0.227041D+01
      4   0.280022D+02 -0.348977D+02  0.550664D+01 -0.532537D+01  0.606500D+01
      5  -0.532956D+01  0.567828D+01 -0.472828D+01  0.713690D+00 -0.283725D+01
      6   0.586038D+01 -0.703865D+01  0.725265D+01  0.613163D+00  0.387579D+01
                81            82            83            84            85 
      1  -0.133646D+01 -0.669751D+01 -0.117946D+02  0.333239D+01 -0.840952D+01
      2   0.232999D+01  0.965905D+01  0.171437D+02 -0.335852D+01  0.111126D+02
      3  -0.993532D+00 -0.296153D+01 -0.534912D+01  0.261234D-01 -0.270313D+01
      4  -0.301893D+01  0.874888D+01  0.170206D+02 -0.374549D+01  0.101945D+02
      5   0.176538D+01 -0.145004D+01 -0.251444D+01  0.291256D+01 -0.175019D+01
      6  -0.258733D+01 -0.307221D+01 -0.503708D+01  0.382866D+01 -0.315864D+01
                86            87            88            89            90 
      1  -0.500337D+02  0.121237D+02  0.236758D+01  0.128011D+02 -0.435265D+01
      2   0.679394D+02 -0.128266D+02 -0.339560D+01 -0.159836D+02  0.447380D+01
      3  -0.179056D+02  0.702915D+00  0.102802D+01  0.318256D+01 -0.121158D+00
      4   0.223706D+02 -0.473915D+01 -0.337896D+01 -0.526098D+01  0.277270D+01
      5  -0.232787D+01  0.201375D+01  0.889646D+00  0.253618D+01 -0.144234D+01
      6  -0.172205D+02  0.119114D+02  0.591861D+00  0.672754D+01 -0.429381D+01
                91            92            93            94            95 
      1  -0.584308D+01  0.438448D+01 -0.153319D+02  0.624857D+00 -0.719991D+01
      2   0.912826D+01  0.891277D+00  0.146339D+01  0.629831D+01 -0.387963D+01
      3  -0.328518D+01 -0.527576D+01  0.138685D+02 -0.692317D+01  0.110795D+02
      4  -0.699053D+01 -0.168203D+02 -0.285316D+01 -0.207575D+02  0.309680D+02
      5   0.535089D+00 -0.423605D+01 -0.178221D+02  0.156518D+01 -0.162614D+02
      6  -0.499283D+01  0.974204D+00  0.107374D+01 -0.485329D+01  0.425531D+01
                96            97            98            99           100 
      1  -0.129387D+01 -0.186600D-01 -0.294703D+01 -0.188697D+02 -0.740822D+02
      2   0.111030D+01 -0.151280D+02  0.789908D+01  0.171810D+02  0.432648D+02
      3   0.183577D+00  0.151467D+02 -0.495205D+01  0.168868D+01  0.308174D+02
      4  -0.185105D+02 -0.724801D+01 -0.203359D+02 -0.361816D+01  0.323629D+01
      5  -0.114163D+01 -0.610826D+02  0.336706D+01  0.147846D+02  0.414559D+02
      6   0.417127D+01  0.210977D+01 -0.180495D+01 -0.132993D+01  0.139976D+00
               101           102           103           104           105 
      1  -0.922955D+00  0.294934D+02 -0.830927D+01  0.335077D+02  0.653018D+01
      2   0.200830D+00 -0.908971D+01  0.195711D+01 -0.728341D+01 -0.229188D+01
      3   0.722124D+00 -0.204037D+02  0.635215D+01 -0.262243D+02 -0.423830D+01
      4   0.208520D+02  0.934283D+00  0.200393D+02 -0.333771D+01  0.251171D+02
      5   0.258489D+01  0.833202D+01  0.526267D+01  0.163775D+02  0.293691D+01
      6  -0.122219D+02 -0.125774D+01 -0.676864D+01 -0.207949D+01 -0.204864D+02
               106           107           108           109           110 
      1   0.634532D+01  0.466854D+01  0.168469D+02 -0.607024D+02 -0.245402D+02
      2   0.146810D+02 -0.397209D+01 -0.212669D+02  0.194294D+02  0.138761D+01
      3  -0.210263D+02 -0.696454D+00  0.441999D+01  0.412730D+02  0.231526D+02
      4  -0.540740D+00  0.215469D+02  0.161904D+01 -0.461356D+02 -0.290708D+02
      5   0.372448D+02 -0.123930D+01 -0.271583D+02  0.915844D+01 -0.798252D+00
      6  -0.228997D+01 -0.147888D+02 -0.431238D+01  0.311196D+00  0.381230D+01
               111           112           113           114           115 
      1   0.401490D+01 -0.348879D+02 -0.155921D+02  0.121549D+02  0.384825D+02
      2  -0.404250D+01  0.738234D+01  0.220150D+01 -0.104874D+00 -0.145250D+02
      3   0.275972D-01  0.275055D+02  0.133906D+02 -0.120500D+02 -0.239575D+02
      4   0.200552D+01 -0.154362D+02 -0.257538D+02  0.105675D+02  0.249031D+02
      5  -0.181757D+01  0.766729D+00  0.743479D+01 -0.833386D+01  0.212064D+02
      6  -0.487695D+01  0.504859D+01 -0.182036D+01 -0.122415D+01  0.464047D+01
               116           117           118           119           120 
      1   0.954643D+01  0.234574D+02  0.146703D+02 -0.117189D+02  0.622784D+01
      2  -0.120891D+01 -0.140714D+01 -0.164912D+01  0.194582D+01 -0.163691D+01
      3  -0.833753D+01 -0.220503D+02 -0.130212D+02  0.977309D+01 -0.459093D+01
      4   0.219279D+02  0.704462D+01 -0.237173D+02  0.231252D+02 -0.191931D+01
      5   0.388711D+01 -0.342302D+00  0.785597D+01 -0.158630D+01  0.116714D+02
      6  -0.890753D+00 -0.231862D+01 -0.218668D+01  0.125377D+01 -0.108113D+01
               121           122           123           124           125 
      1  -0.202340D+02  0.355783D+01 -0.103263D+01  0.915611D+01  0.657174D+00
      2   0.581953D+01  0.122197D+02 -0.273576D+01 -0.358501D+01 -0.374098D+01
      3   0.144144D+02 -0.157775D+02  0.376839D+01 -0.557110D+01  0.308381D+01
      4   0.234471D+02 -0.441946D+02  0.984048D+01 -0.414713D+01  0.143862D+02
      5  -0.234376D+01  0.908358D+01 -0.113790D+02  0.134805D+02 -0.885038D+01
      6   0.118517D+01 -0.367227D+01  0.451288D+01 -0.258893D+01  0.634394D+01
               126           127           128           129           130 
      1   0.376034D+01 -0.181478D+01  0.761421D+01 -0.109552D+02  0.117705D+02
      2  -0.199484D+01  0.773148D+00 -0.298626D+01 -0.284476D+00 -0.732616D+01
      3  -0.176550D+01  0.104164D+01 -0.462796D+01  0.112396D+02 -0.444437D+01
      4  -0.943053D+01  0.338928D+01 -0.645426D+01  0.256290D+01 -0.726047D-01
      5   0.596264D+01 -0.392449D-01 -0.666787D-01 -0.636163D+01 -0.905925D+01
      6  -0.339303D+01 -0.339087D+01  0.590132D+01 -0.299921D+01  0.114172D+01
               131           132           133           134           135 
      1  -0.169349D+02  0.114972D+02 -0.550790D+01  0.674748D+01 -0.138959D+02
      2   0.560220D+01  0.354781D+01  0.166929D+01  0.153393D+01 -0.237542D+01
      3   0.113327D+02 -0.150450D+02  0.383861D+01 -0.828141D+01  0.162713D+02
      4   0.225371D+02 -0.148866D+02 -0.374573D-02 -0.110794D+02  0.848481D+01
      5  -0.107590D+02  0.172791D+02  0.290745D+01  0.629569D+01 -0.110458D+02
      6  -0.166602D+02  0.136950D+02 -0.245123D+00  0.111520D+02 -0.795420D+01
               136           137           138           139           140 
      1   0.111445D+03 -0.161425D+01 -0.206760D+02  0.241585D+01  0.518654D+01
      2  -0.677263D+02  0.711565D+00  0.198266D+02 -0.245152D+01 -0.367963D+01
      3  -0.437184D+02  0.902687D+00  0.849315D+00  0.356705D-01 -0.150692D+01
      4  -0.619436D+01  0.121206D+02  0.275310D+01  0.132567D+02  0.168403D+00
      5  -0.660011D+02  0.221855D+01  0.322334D+02 -0.233173D+01 -0.640606D+01
      6   0.306636D+01 -0.432807D+01 -0.176553D+01 -0.381941D+01 -0.888181D-01
               141           142           143           144           145 
      1  -0.861688D+00 -0.875059D+01 -0.153517D+01  0.824079D+01  0.783917D+00
      2   0.147640D+01  0.908494D+01  0.587099D+00 -0.724871D+01 -0.999374D+00
      3  -0.614709D+00 -0.334348D+00  0.948067D+00 -0.992086D+00  0.215457D+00
      4  -0.535801D+01 -0.837987D+00 -0.390568D+01  0.409999D+00 -0.308013D+01
      5   0.212641D+01  0.179421D+02  0.113977D+01 -0.854172D+01 -0.296842D+01
      6   0.414090D+01 -0.573378D-01  0.301138D+01  0.492115D+00  0.342749D+01
               146           147           148           149           150 
      1  -0.902548D+01 -0.131069D+02 -0.883684D+01 -0.202944D+02 -0.162353D+02
      2   0.366615D+01  0.152578D+01  0.602748D+01  0.957465D+01 -0.417806D+00
      3   0.535933D+01  0.115811D+02  0.280936D+01  0.107198D+02  0.166531D+02
      4  -0.508565D+01 -0.281676D+01  0.412899D+01 -0.260710D+02 -0.208296D+02
      5  -0.568030D+00 -0.518000D+01  0.926055D+01 -0.166069D+02 -0.223867D+02
      6   0.672154D+01  0.516423D+01 -0.846875D+00  0.219151D+02  0.203337D+02
               151           152           153           154           155 
      1  -0.540065D+01 -0.111974D+02 -0.199462D+02  0.146628D+03  0.384616D+02
      2   0.288763D+01 -0.106717D+00 -0.280337D+01 -0.611387D+02 -0.899696D+01
      3   0.251302D+01  0.113041D+02  0.227496D+02 -0.854893D+02 -0.294646D+02
      4   0.294846D+01 -0.151298D+02 -0.145127D+02  0.718087D+02  0.481547D+02
      5   0.513590D+01 -0.126710D+02 -0.201920D+02  0.210161D+01  0.470922D+01
      6  -0.443781D+00  0.156581D+02  0.161676D+02 -0.147353D+01 -0.631270D+00
               156           157           158           159           160 
      1  -0.939952D+01  0.483994D+02  0.311106D+02 -0.611465D+01 -0.125047D+02
      2   0.195892D+01 -0.647477D+01  0.551343D+01 -0.708003D+00  0.234180D+01
      3   0.744061D+01 -0.419246D+02 -0.366240D+02  0.682265D+01  0.101629D+02
      4   0.517968D+00  0.677656D+02  0.629864D+02 -0.801537D+01 -0.999057D+01
      5   0.302107D+02 -0.298863D+01 -0.296673D+01  0.183459D+02  0.277664D+02
      6   0.777480D+01  0.698572D+00  0.814074D+00  0.882220D+01  0.869632D+01
               161           162           163           164           165 
      1  -0.394983D+01  0.144727D+02  0.392083D+02  0.162490D+02  0.104021D+02
      2  -0.256125D+01 -0.768918D+01 -0.232290D+02 -0.511119D+01 -0.817374D+01
      3   0.651108D+01 -0.678355D+01 -0.159793D+02 -0.111378D+02 -0.222841D+01
      4  -0.148235D+02  0.132647D+02  0.321957D+02  0.160738D+02  0.246858D+01
      5   0.118545D+02 -0.133187D+02  0.222467D+02  0.347648D+01  0.181268D+02
      6   0.711531D+01 -0.263427D+01  0.118002D+02  0.197447D+01  0.104587D+01
               166           167           168           169           170 
      1   0.215972D+02 -0.472960D+01 -0.129224D+02 -0.120656D+02 -0.103819D+02
      2  -0.102077D+02  0.443877D+01  0.333908D+01  0.251340D+00  0.267109D+01
      3  -0.113895D+02  0.290832D+00  0.958335D+01  0.118142D+02  0.771082D+01
      4   0.186579D+02  0.112911D+02  0.114927D+02 -0.816715D+01  0.261557D+00
      5   0.111131D+02  0.132475D+02  0.137312D+02  0.152049D+02  0.560617D+01
      6   0.390047D+01  0.942049D+01  0.133550D+02  0.100271D+00  0.107185D+02
               171           172           173           174           175 
      1  -0.288456D+02 -0.393903D+02 -0.892410D+01  0.113137D+02 -0.217750D+02
      2  -0.149873D+02  0.194205D+02  0.281810D+01  0.232043D+01  0.127167D+02
      3   0.438328D+02  0.199699D+02  0.610600D+01 -0.136341D+02  0.905826D+01
      4   0.317438D+01 -0.260829D+02 -0.118385D+02 -0.159740D+01 -0.176891D+02
      5   0.457547D+02 -0.154224D+02 -0.534378D+01 -0.136949D+02 -0.113694D+02
      6   0.132480D+02 -0.832581D+01 -0.528481D+01 -0.392130D+01 -0.527890D+01
               176           177           178           179           180 
      1  -0.107049D+02  0.382880D+01  0.124477D+01  0.130440D+01 -0.112127D+02
      2   0.500128D+01  0.337702D+01  0.489707D+01  0.375937D+00  0.157444D+01
      3   0.570357D+01 -0.720582D+01 -0.614184D+01 -0.168033D+01  0.963831D+01
      4  -0.703448D+01  0.104576D+01 -0.559200D+01 -0.397467D+00 -0.475204D+01
      5  -0.179755D+00 -0.107351D+02 -0.517044D+01 -0.191174D+01  0.367337D+01
      6  -0.302067D+01  0.114751D+01 -0.288860D+01  0.178026D+01 -0.152292D+01
               181           182           183           184           185 
      1  -0.148767D+01  0.587666D+02 -0.131491D+02 -0.749262D+02  0.283027D+02
      2  -0.947120D+00 -0.391483D+02  0.318912D+01  0.477974D+02 -0.220240D+02
      3   0.243479D+01 -0.196183D+02  0.995998D+01  0.271288D+02 -0.627867D+01
      4   0.297674D+02  0.359781D+02 -0.881746D+01  0.305841D+02  0.193492D+02
      5  -0.325557D+01 -0.108165D+02  0.188084D+02  0.110285D+00 -0.128205D+02
      6  -0.271611D+01  0.453617D+01 -0.116548D+02 -0.992510D+01  0.831168D+01
               186           187           188           189           190 
      1  -0.360025D+01  0.205398D+02 -0.126550D+02  0.104224D+01  0.122736D+03
      2   0.372438D+01 -0.208808D+02  0.129935D+02 -0.767485D+01 -0.693002D+02
      3  -0.124125D+00  0.341060D+00 -0.338488D+00  0.663260D+01 -0.534355D+02
      4  -0.128794D+02 -0.523135D+01 -0.152578D+02 -0.131052D+02 -0.190225D+02
      5  -0.546419D+01  0.270713D+02 -0.150136D+02  0.946013D+01  0.841501D+01
      6   0.365693D+01 -0.131848D+02  0.973657D+01  0.115616D+01  0.162155D+01
               191           192           193           194           195 
      1  -0.399581D+02  0.390026D+01 -0.364714D+01 -0.180044D+02  0.107262D+02
      2   0.267490D+02 -0.226063D+01 -0.177368D+01  0.215948D+02 -0.128240D+02
      3   0.132091D+02 -0.163964D+01  0.542082D+01 -0.359044D+01  0.209784D+01
      4   0.270495D+02 -0.494512D+01 -0.171256D+02 -0.550883D+02  0.134289D+02
      5  -0.598746D+01  0.346309D+01  0.155149D+02  0.132704D+02 -0.479095D+01
      6   0.592370D-01  0.526968D+01  0.500509D+01 -0.874013D+01 -0.133214D+01
               196           197           198           199           200 
      1  -0.351546D+00  0.122953D+02  0.229157D+02 -0.120461D+03  0.208221D+02
      2   0.127252D+01 -0.102959D+02 -0.200526D+02  0.588427D+02 -0.108069D+02
      3  -0.920977D+00 -0.199936D+01 -0.286309D+01  0.616180D+02 -0.100152D+02
      4   0.176065D+02  0.887402D+01 -0.617860D+01  0.253507D+02 -0.326777D+02
      5   0.477374D+02 -0.116638D+02  0.128533D+01 -0.568558D+01  0.136633D+02
      6  -0.210431D+01  0.700731D+01  0.378077D+01  0.650067D+01 -0.745530D+00
               201           202           203           204           205 
      1   0.142850D+01  0.959784D+02 -0.197969D+02 -0.412186D+01 -0.160043D+02
      2  -0.590081D+00 -0.603183D+02  0.276560D+01  0.550327D+01  0.132180D+02
      3  -0.838417D+00 -0.356600D+02  0.170313D+02 -0.138142D+01  0.278625D+01
      4   0.986253D+01 -0.174457D+02  0.258739D+02  0.383512D+01  0.612500D+01
      5   0.227869D+01  0.461399D+01  0.296543D+01  0.755690D+01  0.520919D+01
      6  -0.124348D+00  0.607944D+01  0.109325D+02  0.319463D+01  0.288470D+01
               206           207           208           209           210 
      1   0.174539D+01 -0.162554D+02  0.219877D+02  0.307460D+02 -0.540626D+01
      2   0.669722D+01 -0.136510D+01 -0.134519D+02 -0.199569D+02  0.218256D+01
      3  -0.844261D+01  0.176205D+02 -0.853588D+01 -0.107892D+02  0.322370D+01
      4   0.100661D+02  0.236120D+02  0.212012D+02  0.646937D+01  0.400401D+01
      5   0.244350D+02 -0.132267D+02 -0.663889D+01  0.450720D+01  0.274906D+02
      6   0.123760D+02 -0.116013D+01  0.113769D+01 -0.122024D+01 -0.694767D+01
               211           212           213           214           215 
      1  -0.271830D+01  0.164700D+02 -0.428454D+01  0.951487D+00 -0.470587D+01
      2   0.376007D+01 -0.629538D+01  0.585295D+01  0.101776D+01  0.410945D+01
      3  -0.104176D+01 -0.101746D+02 -0.156841D+01 -0.196925D+01  0.596421D+00
      4   0.442987D+02  0.713626D+01 -0.522228D+01 -0.856328D+01  0.474417D+00
      5  -0.914889D+01 -0.405082D+01 -0.111847D+02  0.144104D+02  0.423651D+01
      6  -0.143903D+01  0.215810D+01  0.850686D+01  0.253239D+01  0.286623D+01
               216           217           218           219           220 
      1   0.492029D+01 -0.702686D+02 -0.422961D+02  0.144925D+02 -0.367236D+02
      2  -0.337944D+01  0.424406D+02  0.212467D+02 -0.734976D+01  0.181655D+02
      3  -0.154085D+01  0.278280D+02  0.210494D+02 -0.714275D+01  0.185580D+02
      4   0.640919D+01 -0.393175D+02  0.134627D+02  0.160040D+01 -0.267686D+02
      5  -0.236280D+01  0.136682D+02  0.190692D+01 -0.673865D+01  0.792322D+01
      6  -0.300572D+01 -0.136955D+01 -0.935262D+00  0.217113D+01  0.345054D+01
               221           222           223           224           225 
      1   0.417616D+01  0.104703D+02  0.107742D+02  0.865594D+01 -0.142669D+01
      2  -0.674053D+01 -0.129803D+02  0.197992D+00 -0.109432D+02  0.230808D-01
      3   0.256437D+01  0.251004D+01 -0.109722D+02  0.228728D+01  0.140361D+01
      4   0.352292D+02  0.226023D+02  0.695483D+01  0.155353D+02  0.435851D+02
      5   0.226154D+02  0.678554D+02 -0.304825D+02  0.476906D+02 -0.414037D+02
      6  -0.925270D+01 -0.193801D+02  0.134172D+02 -0.151469D+02  0.811997D+01
               226           227           228           229           230 
      1  -0.702119D+01 -0.163077D+02  0.461513D+01 -0.779464D+01 -0.450150D+02
      2   0.689423D+01  0.151005D+02 -0.303906D+01  0.714900D+01  0.506647D+02
      3   0.126957D+00  0.120720D+01 -0.157607D+01  0.645647D+00 -0.564965D+01
      4   0.141276D+00  0.530774D+01 -0.827463D+00  0.287781D+01 -0.961964D+01
      5   0.237670D+00 -0.554364D+00  0.114056D+01 -0.813379D-01  0.376462D+01
      6  -0.227840D+01 -0.426136D+01  0.299743D+01 -0.185234D+01 -0.148077D+02
               231           232           233           234           235 
      1   0.113322D+02  0.239915D+01  0.117114D+02 -0.433676D+01  0.335407D+02
      2  -0.914967D+01 -0.198992D+01 -0.117578D+02  0.358790D+01 -0.113744D+02
      3  -0.218254D+01 -0.409226D+00  0.463946D-01  0.748867D+00 -0.221662D+02
      4   0.260996D+01 -0.156598D+00  0.263248D+01  0.965930D+00 -0.301530D+02
      5  -0.271491D+01  0.173428D+01 -0.246325D+00 -0.103391D+00  0.558938D+01
      6   0.980480D+01  0.650799D+00  0.573978D+01 -0.365602D+01 -0.189971D+01
               236           237           238           239           240 
      1  -0.119844D+02  0.994031D+00 -0.164576D+02  0.352261D+01 -0.761195D+00
      2  -0.479838D+00  0.286943D-01 -0.249633D+01  0.154174D+02 -0.770011D+00
      3   0.124643D+02 -0.102272D+01  0.189540D+02 -0.189400D+02  0.153121D+01
      4   0.251006D+02 -0.370728D+01  0.370309D+02 -0.427831D+02  0.680149D+01
      5  -0.477226D+01  0.380036D+01 -0.892337D+01  0.873912D+01 -0.692711D+01
      6   0.227673D+01 -0.214348D+01  0.536273D+01 -0.641583D+01  0.572671D+01
               241           242           243           244           245 
      1   0.151944D+01 -0.574180D+00 -0.158821D+01  0.397053D+01  0.820588D+01
      2   0.223630D+01 -0.276601D+01  0.152633D+01  0.295588D+01  0.976484D+00
      3  -0.375574D+01  0.334019D+01  0.618786D-01 -0.692641D+01 -0.918237D+01
      4  -0.748893D+01  0.826177D+01 -0.272064D+01  0.245740D+02  0.234143D+02
      5  -0.292703D+00 -0.236961D+01  0.199263D+01 -0.568226D+01 -0.488806D+01
      6   0.830586D-01  0.241795D+01 -0.182648D+01 -0.287776D+01 -0.270010D+01
               246           247           248           249           250 
      1  -0.186808D+01  0.684754D+01 -0.950275D+01  0.224162D+01 -0.175907D+01
      2   0.688404D+00  0.585890D+01  0.241955D+02 -0.301562D+01 -0.328541D+00
      3   0.117968D+01 -0.127064D+02 -0.146927D+02  0.773997D+00  0.208761D+01
      4  -0.591201D+01  0.305996D+02  0.507969D+02 -0.118018D+02 -0.816240D+01
      5   0.551764D+01 -0.656381D+01 -0.100326D+02  0.893698D+01  0.429102D+01
      6   0.289303D+01 -0.458695D+01 -0.873530D+01  0.784203D+01  0.352521D+01
               251           252           253           254           255 
      1   0.160804D+01 -0.123661D+01  0.230623D+01 -0.546152D+01 -0.105368D+02
      2  -0.444150D+01  0.220126D+01 -0.571327D+00  0.311448D+01  0.516439D+01
      3   0.283346D+01 -0.964651D+00 -0.173490D+01  0.234704D+01  0.537238D+01
      4  -0.131950D+02  0.473769D+01 -0.207477D+01 -0.112005D+01  0.166618D+01
      5   0.286202D+01 -0.304020D+01 -0.922438D+01  0.881505D+00 -0.340176D+01
      6   0.413375D+01 -0.355704D+01  0.220176D+01  0.108705D+01  0.217992D+01
               256           257           258           259           260 
      1  -0.224929D+02  0.369756D+01  0.117213D+01 -0.301027D+02  0.281179D+01
      2   0.643511D+01  0.109551D+02  0.408788D+01  0.132538D+02  0.306690D+01
      3   0.160578D+02 -0.146527D+02 -0.526002D+01  0.168489D+02 -0.587869D+01
      4   0.368958D+02 -0.561622D+02 -0.299019D+02  0.226320D+02 -0.331579D+02
      5   0.172651D+02 -0.307310D+02 -0.327037D+02  0.268113D+02 -0.316234D+02
      6  -0.843317D+01  0.142691D+02  0.129824D+02 -0.998169D+01  0.139044D+02
               261           262           263           264           265 
      1   0.169098D+01  0.109391D+02 -0.161676D+01  0.121355D+02 -0.887738D+01
      2  -0.246627D+01 -0.675233D+01  0.980176D+00 -0.514797D+01  0.363121D+01
      3   0.775292D+00 -0.418677D+01  0.636585D+00 -0.698754D+01  0.524617D+01
      4  -0.293469D+02 -0.828526D+00 -0.602051D+00 -0.529062D+01  0.206599D+02
      5  -0.316567D+02  0.132052D+02 -0.455734D+01  0.360689D+01 -0.155288D+02
      6   0.121711D+02 -0.288197D+01  0.930410D+00  0.315206D+00  0.463835D+01
               266           267           268           269           270 
      1   0.413700D+01 -0.573854D+01  0.457643D+02 -0.912219D+01  0.117649D+02
      2   0.419827D+00  0.239144D+01 -0.288907D+02  0.502789D+01 -0.162631D+02
      3  -0.455683D+01  0.334710D+01 -0.168736D+02  0.409430D+01  0.449818D+01
      4  -0.211985D+02  0.152846D+02 -0.239762D+02  0.217160D+02 -0.270486D+02
      5   0.161110D+02 -0.276682D+02  0.484223D+02 -0.306881D+02  0.754100D+02
      6  -0.571948D+01  0.107994D+02 -0.113953D+02  0.116498D+02 -0.165032D+02
               271           272           273           274           275 
      1   0.199088D+03  0.176830D+02 -0.138452D+02  0.605373D+02  0.183177D+02
      2  -0.105739D+03 -0.104174D+02  0.787372D+01 -0.329324D+02 -0.912931D+01
      3  -0.933497D+02 -0.726558D+01  0.597144D+01 -0.276049D+02 -0.918844D+01
      4   0.145386D+02  0.158238D+02 -0.587816D+00  0.223946D+02  0.137146D+02
      5  -0.147339D+02 -0.743914D+00  0.190957D+02 -0.362375D+01 -0.424445D+01
      6   0.231381D+01  0.119638D-01 -0.125772D+01  0.235151D+00  0.526346D+00
               276           277           278           279 
      1  -0.421489D+01 -0.239694D+02 -0.229615D+01  0.165098D+02
      2   0.287516D+01  0.135485D+02  0.217417D+01 -0.998041D+01
      3   0.133973D+01  0.104209D+02  0.121979D+00 -0.652943D+01
      4  -0.420662D+01 -0.108769D+01 -0.536289D+01 -0.149986D+01
      5   0.522552D+01  0.244364D+02 -0.168547D+01 -0.353529D+01
      6   0.135766D+01 -0.104672D+01  0.254170D+01 -0.187057D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Tue Aug 17 00:07:46 2021, MaxMem=  5637144576 cpu:           69582.4 elap:            8719.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -18.93755 -18.93369 -18.87626 -10.13455 -10.08559
 Alpha  occ. eigenvalues --  -10.07009 -10.04220 -10.03838 -10.03792 -10.03364
 Alpha  occ. eigenvalues --  -10.03111 -10.02964 -10.02911 -10.02877 -10.02668
 Alpha  occ. eigenvalues --  -10.01767 -10.00517  -1.14978  -1.13189  -1.07005
 Alpha  occ. eigenvalues --   -0.95553  -0.91334  -0.86985  -0.85395  -0.81570
 Alpha  occ. eigenvalues --   -0.81293  -0.76833  -0.73178  -0.71357  -0.68686
 Alpha  occ. eigenvalues --   -0.68642  -0.66950  -0.62260  -0.60961  -0.60227
 Alpha  occ. eigenvalues --   -0.57988  -0.55618  -0.55489  -0.53599  -0.53151
 Alpha  occ. eigenvalues --   -0.52921  -0.52059  -0.50214  -0.50106  -0.49495
 Alpha  occ. eigenvalues --   -0.49203  -0.48532  -0.47236  -0.46296  -0.44872
 Alpha  occ. eigenvalues --   -0.43771  -0.42954  -0.42266  -0.41797  -0.40363
 Alpha  occ. eigenvalues --   -0.40088  -0.39371  -0.37536  -0.34296  -0.32663
 Alpha  occ. eigenvalues --   -0.29093
 Alpha virt. eigenvalues --   -0.00799   0.02186   0.02655   0.02691   0.03267
 Alpha virt. eigenvalues --    0.04012   0.04278   0.04651   0.05203   0.05550
 Alpha virt. eigenvalues --    0.05633   0.05864   0.06446   0.06730   0.07406
 Alpha virt. eigenvalues --    0.08018   0.08309   0.09097   0.09723   0.09806
 Alpha virt. eigenvalues --    0.10628   0.10978   0.11252   0.11716   0.11938
 Alpha virt. eigenvalues --    0.12270   0.12618   0.12671   0.13007   0.13294
 Alpha virt. eigenvalues --    0.13578   0.14040   0.14348   0.14472   0.14819
 Alpha virt. eigenvalues --    0.15358   0.15513   0.15610   0.16060   0.16247
 Alpha virt. eigenvalues --    0.16635   0.16956   0.17353   0.17683   0.17857
 Alpha virt. eigenvalues --    0.18441   0.18520   0.19121   0.19323   0.19698
 Alpha virt. eigenvalues --    0.19984   0.20353   0.20838   0.21366   0.21802
 Alpha virt. eigenvalues --    0.22557   0.22927   0.23257   0.23677   0.23728
 Alpha virt. eigenvalues --    0.24070   0.24299   0.24735   0.25325   0.25832
 Alpha virt. eigenvalues --    0.26114   0.26382   0.26732   0.26945   0.27366
 Alpha virt. eigenvalues --    0.27777   0.28185   0.28369   0.28748   0.29047
 Alpha virt. eigenvalues --    0.29543   0.29981   0.30198   0.30411   0.30640
 Alpha virt. eigenvalues --    0.30893   0.31232   0.31554   0.31906   0.32490
 Alpha virt. eigenvalues --    0.32708   0.33188   0.33322   0.33752   0.34056
 Alpha virt. eigenvalues --    0.34244   0.34489   0.34942   0.35179   0.35400
 Alpha virt. eigenvalues --    0.35644   0.35856   0.36666   0.36809   0.37833
 Alpha virt. eigenvalues --    0.37959   0.38240   0.38549   0.38743   0.39191
 Alpha virt. eigenvalues --    0.39613   0.40030   0.40176   0.40927   0.41109
 Alpha virt. eigenvalues --    0.41355   0.41840   0.42533   0.42997   0.43190
 Alpha virt. eigenvalues --    0.43675   0.44077   0.44757   0.45510   0.45700
 Alpha virt. eigenvalues --    0.46194   0.46448   0.47424   0.47696   0.48125
 Alpha virt. eigenvalues --    0.48205   0.48407   0.49264   0.49959   0.50382
 Alpha virt. eigenvalues --    0.51390   0.51721   0.51949   0.52501   0.52922
 Alpha virt. eigenvalues --    0.53707   0.54369   0.54694   0.55276   0.55812
 Alpha virt. eigenvalues --    0.56184   0.56398   0.56854   0.57000   0.57456
 Alpha virt. eigenvalues --    0.57738   0.58071   0.58301   0.59469   0.59539
 Alpha virt. eigenvalues --    0.60256   0.60798   0.60947   0.61401   0.62464
 Alpha virt. eigenvalues --    0.62533   0.62842   0.63062   0.63571   0.63901
 Alpha virt. eigenvalues --    0.64508   0.64576   0.65358   0.66059   0.66314
 Alpha virt. eigenvalues --    0.66721   0.67030   0.67300   0.67928   0.68293
 Alpha virt. eigenvalues --    0.68568   0.69118   0.69801   0.70342   0.70597
 Alpha virt. eigenvalues --    0.71099   0.71146   0.71700   0.71863   0.72205
 Alpha virt. eigenvalues --    0.72728   0.73182   0.73693   0.74119   0.74450
 Alpha virt. eigenvalues --    0.74785   0.75015   0.75616   0.76374   0.76447
 Alpha virt. eigenvalues --    0.77119   0.77793   0.78973   0.79397   0.79576
 Alpha virt. eigenvalues --    0.79978   0.80180   0.80449   0.80549   0.81116
 Alpha virt. eigenvalues --    0.81713   0.82034   0.82144   0.82998   0.83370
 Alpha virt. eigenvalues --    0.84200   0.84774   0.85315   0.85792   0.86259
 Alpha virt. eigenvalues --    0.86479   0.87190   0.87335   0.88694   0.89413
 Alpha virt. eigenvalues --    0.90114   0.90665   0.91191   0.91371   0.92163
 Alpha virt. eigenvalues --    0.93011   0.93897   0.93954   0.95498   0.96154
 Alpha virt. eigenvalues --    0.97100   0.97734   0.98405   0.99611   1.01029
 Alpha virt. eigenvalues --    1.01598   1.02445   1.03971   1.04448   1.04808
 Alpha virt. eigenvalues --    1.05323   1.07168   1.07642   1.09034   1.09308
 Alpha virt. eigenvalues --    1.09784   1.11293   1.12369   1.13530   1.14219
 Alpha virt. eigenvalues --    1.14642   1.15514   1.16332   1.17717   1.18555
 Alpha virt. eigenvalues --    1.18954   1.20377   1.21876   1.22978   1.23740
 Alpha virt. eigenvalues --    1.24525   1.24816   1.25363   1.26212   1.26912
 Alpha virt. eigenvalues --    1.28520   1.29982   1.30975   1.31637   1.31846
 Alpha virt. eigenvalues --    1.33798   1.34414   1.36566   1.37119   1.37409
 Alpha virt. eigenvalues --    1.37999   1.38139   1.39770   1.40419   1.41354
 Alpha virt. eigenvalues --    1.42378   1.43498   1.43879   1.44289   1.44790
 Alpha virt. eigenvalues --    1.46696   1.47253   1.48801   1.49434   1.49726
 Alpha virt. eigenvalues --    1.50509   1.51161   1.51928   1.53232   1.53592
 Alpha virt. eigenvalues --    1.54272   1.55104   1.55704   1.56338   1.56969
 Alpha virt. eigenvalues --    1.58401   1.59011   1.59261   1.59931   1.60464
 Alpha virt. eigenvalues --    1.61242   1.62121   1.63066   1.63626   1.64227
 Alpha virt. eigenvalues --    1.64431   1.65688   1.66957   1.67627   1.68372
 Alpha virt. eigenvalues --    1.68495   1.68912   1.69818   1.70373   1.71522
 Alpha virt. eigenvalues --    1.72043   1.72639   1.73013   1.73379   1.75016
 Alpha virt. eigenvalues --    1.75654   1.77198   1.77420   1.78426   1.78855
 Alpha virt. eigenvalues --    1.79460   1.80579   1.81407   1.83006   1.83556
 Alpha virt. eigenvalues --    1.85128   1.85386   1.86365   1.87031   1.88762
 Alpha virt. eigenvalues --    1.90165   1.90911   1.92206   1.92302   1.93911
 Alpha virt. eigenvalues --    1.94070   1.94999   1.95552   1.96304   1.96680
 Alpha virt. eigenvalues --    1.97711   1.98763   1.99588   2.00447   2.01075
 Alpha virt. eigenvalues --    2.01738   2.02199   2.03486   2.03859   2.04251
 Alpha virt. eigenvalues --    2.05213   2.06218   2.06626   2.08145   2.08915
 Alpha virt. eigenvalues --    2.09434   2.09901   2.10919   2.11449   2.12364
 Alpha virt. eigenvalues --    2.14063   2.14827   2.15527   2.16217   2.17167
 Alpha virt. eigenvalues --    2.17694   2.18406   2.18912   2.20634   2.22395
 Alpha virt. eigenvalues --    2.22467   2.23099   2.25379   2.26574   2.27648
 Alpha virt. eigenvalues --    2.29777   2.30202   2.30983   2.32915   2.33731
 Alpha virt. eigenvalues --    2.34898   2.35850   2.37435   2.37795   2.39702
 Alpha virt. eigenvalues --    2.40959   2.42776   2.43477   2.44287   2.45694
 Alpha virt. eigenvalues --    2.47811   2.48639   2.53796   2.54678   2.55731
 Alpha virt. eigenvalues --    2.57698   2.59204   2.60638   2.63491   2.65336
 Alpha virt. eigenvalues --    2.65860   2.67825   2.68346   2.69407   2.71928
 Alpha virt. eigenvalues --    2.72467   2.75980   2.77735   2.79611   2.80761
 Alpha virt. eigenvalues --    2.83593   2.86217   2.88871   2.89663   2.93384
 Alpha virt. eigenvalues --    2.93811   2.97054   2.98996   3.02221   3.07080
 Alpha virt. eigenvalues --    3.12648   3.21275   3.24675   3.26248   3.38989
 Alpha virt. eigenvalues --    3.39571   3.41255   3.42954   3.43599   3.44829
 Alpha virt. eigenvalues --    3.45049   3.47129   3.49844   3.50771   3.53178
 Alpha virt. eigenvalues --    3.54351   3.56050   3.58283   3.62756   3.72171
 Alpha virt. eigenvalues --    3.76453   3.77858   3.82627   3.85855   3.94374
 Alpha virt. eigenvalues --    4.04588   4.46799   4.69685
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   44.223169 -10.607188  -6.190644   0.147099  -1.549681   1.719991
     2  C  -10.607188  45.977667  -0.720001   1.461872   3.092408  -9.172892
     3  C   -6.190644  -0.720001  34.461930 -11.382098  -1.187603  -2.372392
     4  C    0.147099   1.461872 -11.382098  24.588132  -6.438219   2.447633
     5  C   -1.549681   3.092408  -1.187603  -6.438219  33.202330 -17.275437
     6  C    1.719991  -9.172892  -2.372392   2.447633 -17.275437  36.486654
     7  C   -8.280390  -7.570897  -1.569954  -3.802432  -0.087759  -0.732732
     8  H    0.869383  -0.874371  -3.903314   1.080066   0.295576  -0.030827
     9  H    0.088163  -0.713322   0.151031   0.425082  -3.957117   2.369600
    10  H   -0.875077   0.655096  -0.029714  -0.415226   2.505233  -4.059498
    11  C    0.705299  -0.853743  -1.014987  -2.327754  -2.700648   1.313917
    12  C   -0.043396   0.039872  -0.233656  -0.362109  -0.160232  -0.030909
    13  C   -0.105763   0.012891  -0.363652   0.310989  -0.345148  -0.055137
    14  H   -0.132648  -0.031807   0.177744  -0.161627   0.047486   0.059432
    15  H    0.060527  -0.019494  -0.086836  -0.298279  -0.004245   0.034095
    16  H   -0.048438   0.018037  -0.023796   0.747334  -0.091490  -0.010451
    17  H   -0.016297  -0.004090   0.220347  -0.623451   0.079558   0.000038
    18  O   -0.024621   0.016894   0.108078  -0.015170   0.010784  -0.012904
    19  O   -0.022480  -0.034581   0.116023  -0.184138  -0.015668   0.046586
    20  H    0.003261  -0.039217  -0.022887   0.086106  -0.005469   0.006283
    21  C    0.007796 -10.872489  -0.677567   0.096897   0.108984  -0.295170
    22  C   -9.640370  -0.253545  -0.560608   0.179964   0.311237  -0.767587
    23  C   -6.847789  -6.360333  -0.728922   0.040565  -0.044392  -5.463721
    24  O    0.256283  -0.263494   0.004422   0.015875  -0.047024  -0.068755
    25  C   -0.081145   0.048597  -0.017517   0.016943  -0.010958   0.011246
    26  H    1.844306  -0.568674   0.189555   0.137338   0.015153  -0.088255
    27  H   -0.463902   0.158290  -0.201599   0.016235   0.009154   0.052873
    28  H   -0.431095   1.845004  -0.072768   0.073662   0.120138   0.479557
    29  H   -0.011301  -0.093939  -0.000010  -0.001590   0.001557   0.006020
    30  H   -0.012679  -0.099709   0.000968  -0.003180   0.002318   0.006382
    31  H    0.006802   0.173632  -0.001367   0.004194  -0.004927  -0.010528
               7          8          9         10         11         12
     1  C   -8.280390   0.869383   0.088163  -0.875077   0.705299  -0.043396
     2  C   -7.570897  -0.874371  -0.713322   0.655096  -0.853743   0.039872
     3  C   -1.569954  -3.903314   0.151031  -0.029714  -1.014987  -0.233656
     4  C   -3.802432   1.080066   0.425082  -0.415226  -2.327754  -0.362109
     5  C   -0.087759   0.295576  -3.957117   2.505233  -2.700648  -0.160232
     6  C   -0.732732  -0.030827   2.369600  -4.059498   1.313917  -0.030909
     7  C   47.292935   0.530001   0.144532  -0.320357   0.184706  -0.075947
     8  H    0.530001   4.373143  -0.052032   0.005595  -0.000480   0.013995
     9  H    0.144532  -0.052032   3.682460  -0.325815   0.593898   0.032928
    10  H   -0.320357   0.005595  -0.325815   3.421008  -0.034830   0.007315
    11  C    0.184706  -0.000480   0.593898  -0.034830  13.074084   0.312170
    12  C   -0.075947   0.013995   0.032928   0.007315   0.312170   4.930255
    13  C   -0.006916   0.041427   0.010801   0.000542  -1.749387  -0.105693
    14  H    0.025276   0.003142  -0.160789   0.002831  -1.178830   0.191983
    15  H   -0.021675  -0.103144   0.005964  -0.000545  -0.166167   0.563963
    16  H    0.003545   0.022325   0.002828   0.000506  -0.303792  -0.098996
    17  H   -0.012649   0.009679  -0.005055   0.002323   0.463861   0.108053
    18  O   -0.005461  -0.012173   0.000831  -0.000046  -0.180352   0.062343
    19  O    0.007188   0.016177  -0.000624   0.001598   0.374730  -0.019439
    20  H    0.017573  -0.008981  -0.010543  -0.000147  -0.167387   0.011640
    21  C   -6.742915   0.267045  -0.016489   0.119873   0.014962  -0.011987
    22  C    0.903536   0.004079  -0.005039   0.244502   0.090262   0.009684
    23  C  -10.832117  -0.081112  -0.249197   1.252128  -0.536690  -0.020028
    24  O   -0.106793   0.000200   0.000351  -0.008727  -0.000371  -0.000068
    25  C    0.007876  -0.001054  -0.000201  -0.000812   0.001980   0.000080
    26  H   -3.870224  -0.355179   0.005347   0.000760   0.022029   0.008463
    27  H    0.628712   0.024682  -0.002206   0.002527  -0.005293  -0.001031
    28  H    0.256916   0.001511  -0.002844  -0.200371   0.005583  -0.000561
    29  H    0.096738  -0.000900   0.000104  -0.000855   0.000168   0.000040
    30  H    0.104686  -0.000823   0.000120  -0.000891   0.000126   0.000030
    31  H   -0.080749  -0.000002  -0.000151   0.001791   0.000188   0.000008
              13         14         15         16         17         18
     1  C   -0.105763  -0.132648   0.060527  -0.048438  -0.016297  -0.024621
     2  C    0.012891  -0.031807  -0.019494   0.018037  -0.004090   0.016894
     3  C   -0.363652   0.177744  -0.086836  -0.023796   0.220347   0.108078
     4  C    0.310989  -0.161627  -0.298279   0.747334  -0.623451  -0.015170
     5  C   -0.345148   0.047486  -0.004245  -0.091490   0.079558   0.010784
     6  C   -0.055137   0.059432   0.034095  -0.010451   0.000038  -0.012904
     7  C   -0.006916   0.025276  -0.021675   0.003545  -0.012649  -0.005461
     8  H    0.041427   0.003142  -0.103144   0.022325   0.009679  -0.012173
     9  H    0.010801  -0.160789   0.005964   0.002828  -0.005055   0.000831
    10  H    0.000542   0.002831  -0.000545   0.000506   0.002323  -0.000046
    11  C   -1.749387  -1.178830  -0.166167  -0.303792   0.463861  -0.180352
    12  C   -0.105693   0.191983   0.563963  -0.098996   0.108053   0.062343
    13  C    7.828267   0.115049  -0.030276   0.018643  -0.082161   0.125195
    14  H    0.115049   2.467805   0.111134  -0.020563  -0.051841   0.046844
    15  H   -0.030276   0.111134   1.734410  -0.391450  -0.301386   0.038763
    16  H    0.018643  -0.020563  -0.391450   1.854664  -0.403716  -0.006017
    17  H   -0.082161  -0.051841  -0.301386  -0.403716   1.809601   0.016293
    18  O    0.125195   0.046844   0.038763  -0.006017   0.016293   8.413515
    19  O   -0.413957   0.002293   0.006780  -0.003024   0.005387  -0.092681
    20  H    0.045902   0.032208   0.003598   0.000825  -0.002709   0.011401
    21  C    0.003751   0.004692  -0.001636  -0.001129  -0.000293  -0.001352
    22  C    0.003265  -0.000006  -0.000092   0.000656   0.001632  -0.000195
    23  C   -0.012054  -0.013374  -0.002933   0.000889  -0.006082   0.001951
    24  O   -0.000082  -0.000107   0.000064  -0.000013  -0.000020   0.000000
    25  C    0.000029   0.000097   0.000001   0.000003   0.000038  -0.000001
    26  H    0.004085  -0.002281   0.010515  -0.001089  -0.000023  -0.000039
    27  H   -0.000862  -0.000144  -0.000939   0.000012   0.000100   0.000014
    28  H   -0.000147   0.000697  -0.000178   0.000076  -0.000204   0.000003
    29  H    0.000029   0.000005   0.000026   0.000001   0.000001   0.000000
    30  H    0.000013   0.000005   0.000019   0.000003   0.000002  -0.000000
    31  H    0.000002   0.000010  -0.000004   0.000000   0.000003  -0.000000
              19         20         21         22         23         24
     1  C   -0.022480   0.003261   0.007796  -9.640370  -6.847789   0.256283
     2  C   -0.034581  -0.039217 -10.872489  -0.253545  -6.360333  -0.263494
     3  C    0.116023  -0.022887  -0.677567  -0.560608  -0.728922   0.004422
     4  C   -0.184138   0.086106   0.096897   0.179964   0.040565   0.015875
     5  C   -0.015668  -0.005469   0.108984   0.311237  -0.044392  -0.047024
     6  C    0.046586   0.006283  -0.295170  -0.767587  -5.463721  -0.068755
     7  C    0.007188   0.017573  -6.742915   0.903536 -10.832117  -0.106793
     8  H    0.016177  -0.008981   0.267045   0.004079  -0.081112   0.000200
     9  H   -0.000624  -0.010543  -0.016489  -0.005039  -0.249197   0.000351
    10  H    0.001598  -0.000147   0.119873   0.244502   1.252128  -0.008727
    11  C    0.374730  -0.167387   0.014962   0.090262  -0.536690  -0.000371
    12  C   -0.019439   0.011640  -0.011987   0.009684  -0.020028  -0.000068
    13  C   -0.413957   0.045902   0.003751   0.003265  -0.012054  -0.000082
    14  H    0.002293   0.032208   0.004692  -0.000006  -0.013374  -0.000107
    15  H    0.006780   0.003598  -0.001636  -0.000092  -0.002933   0.000064
    16  H   -0.003024   0.000825  -0.001129   0.000656   0.000889  -0.000013
    17  H    0.005387  -0.002709  -0.000293   0.001632  -0.006082  -0.000020
    18  O   -0.092681   0.011401  -0.001352  -0.000195   0.001951   0.000000
    19  O    8.432654   0.195123   0.001790  -0.001255  -0.004232   0.000002
    20  H    0.195123   0.676673   0.002087   0.000506  -0.011694  -0.000016
    21  C    0.001790   0.002087  27.093591  -4.285965   1.230345   1.118178
    22  C   -0.001255   0.000506  -4.285965  23.935095  -4.162721  -1.453446
    23  C   -0.004232  -0.011694   1.230345  -4.162721  42.288141   0.194682
    24  O    0.000002  -0.000016   1.118178  -1.453446   0.194682   9.310508
    25  C    0.000011  -0.000036   0.009419   0.065483  -0.203900   0.139972
    26  H   -0.002860  -0.000036   1.780783  -0.451568   0.142361   0.004987
    27  H    0.000143   0.000052  -2.915378   1.245931   0.112768  -0.183093
    28  H   -0.000153   0.000443  -0.337958   0.721478  -3.604546  -0.130875
    29  H   -0.000004   0.000008   0.149331  -0.410257   0.154944   0.158388
    30  H   -0.000003   0.000011   0.164020  -0.431464   0.155908   0.161068
    31  H    0.000002  -0.000007  -0.340609   0.912818  -0.355670  -0.561540
              25         26         27         28         29         30
     1  C   -0.081145   1.844306  -0.463902  -0.431095  -0.011301  -0.012679
     2  C    0.048597  -0.568674   0.158290   1.845004  -0.093939  -0.099709
     3  C   -0.017517   0.189555  -0.201599  -0.072768  -0.000010   0.000968
     4  C    0.016943   0.137338   0.016235   0.073662  -0.001590  -0.003180
     5  C   -0.010958   0.015153   0.009154   0.120138   0.001557   0.002318
     6  C    0.011246  -0.088255   0.052873   0.479557   0.006020   0.006382
     7  C    0.007876  -3.870224   0.628712   0.256916   0.096738   0.104686
     8  H   -0.001054  -0.355179   0.024682   0.001511  -0.000900  -0.000823
     9  H   -0.000201   0.005347  -0.002206  -0.002844   0.000104   0.000120
    10  H   -0.000812   0.000760   0.002527  -0.200371  -0.000855  -0.000891
    11  C    0.001980   0.022029  -0.005293   0.005583   0.000168   0.000126
    12  C    0.000080   0.008463  -0.001031  -0.000561   0.000040   0.000030
    13  C    0.000029   0.004085  -0.000862  -0.000147   0.000029   0.000013
    14  H    0.000097  -0.002281  -0.000144   0.000697   0.000005   0.000005
    15  H    0.000001   0.010515  -0.000939  -0.000178   0.000026   0.000019
    16  H    0.000003  -0.001089   0.000012   0.000076   0.000001   0.000003
    17  H    0.000038  -0.000023   0.000100  -0.000204   0.000001   0.000002
    18  O   -0.000001  -0.000039   0.000014   0.000003   0.000000  -0.000000
    19  O    0.000011  -0.002860   0.000143  -0.000153  -0.000004  -0.000003
    20  H   -0.000036  -0.000036   0.000052   0.000443   0.000008   0.000011
    21  C    0.009419   1.780783  -2.915378  -0.337958   0.149331   0.164020
    22  C    0.065483  -0.451568   1.245931   0.721478  -0.410257  -0.431464
    23  C   -0.203900   0.142361   0.112768  -3.604546   0.154944   0.155908
    24  O    0.139972   0.004987  -0.183093  -0.130875   0.158388   0.161068
    25  C    4.239951   0.018426  -0.086848   0.043099   0.353856   0.356026
    26  H    0.018426   3.490786  -0.384409   0.011945   0.006275   0.006102
    27  H   -0.086848  -0.384409   4.325647  -0.042676  -0.080276  -0.080804
    28  H    0.043099   0.011945  -0.042676   3.224056   0.012204   0.012363
    29  H    0.353856   0.006275  -0.080276   0.012204   1.425091  -0.114413
    30  H    0.356026   0.006102  -0.080804   0.012363  -0.114413   1.427058
    31  H    0.141107  -0.001972   0.042497  -0.019076  -0.540068  -0.541619
              31
     1  C    0.006802
     2  C    0.173632
     3  C   -0.001367
     4  C    0.004194
     5  C   -0.004927
     6  C   -0.010528
     7  C   -0.080749
     8  H   -0.000002
     9  H   -0.000151
    10  H    0.001791
    11  C    0.000188
    12  C    0.000008
    13  C    0.000002
    14  H    0.000010
    15  H   -0.000004
    16  H    0.000000
    17  H    0.000003
    18  O   -0.000000
    19  O    0.000002
    20  H   -0.000007
    21  C   -0.340609
    22  C    0.912818
    23  C   -0.355670
    24  O   -0.561540
    25  C    0.141107
    26  H   -0.001972
    27  H    0.042497
    28  H   -0.019076
    29  H   -0.540068
    30  H   -0.541619
    31  H    2.665306
 Mulliken charges:
               1
     1  C    1.452824
     2  C    1.653527
     3  C    1.931794
     4  C    0.139288
     5  C    0.124099
     6  C    1.406889
     7  C   -0.084254
     8  H   -1.133633
     9  H   -1.012616
    10  H   -0.950713
    11  C    0.062748
    12  C    0.871229
    13  C    0.750356
    14  H   -0.534716
    15  H   -0.140579
    16  H   -0.266385
    17  H   -0.206941
    18  O   -0.501897
    19  O   -0.411387
    20  H    0.175428
    21  C    0.327393
    22  C   -0.206008
    23  C   -0.033174
    24  O   -0.540556
    25  C    0.948235
    26  H   -0.972605
    27  H   -1.170178
    28  H   -0.965283
    29  H   -0.111172
    30  H   -0.111642
    31  H   -0.490071
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    1.452824
     2  C    1.653527
     3  C    0.798161
     4  C    0.139288
     5  C   -0.888517
     6  C    0.456176
     7  C   -1.056859
    11  C   -0.471968
    12  C    0.257324
    13  C    0.750356
    18  O   -0.501897
    19  O   -0.235959
    21  C   -0.842785
    22  C   -0.206008
    23  C   -0.998457
    24  O   -0.540556
    25  C    0.235350
 Electronic spatial extent (au):  <R**2>=           5466.0534
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              5.0624    Y=              1.4331    Z=              0.9059  Tot=              5.3388
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -106.5554   YY=            -95.6938   ZZ=           -103.6063
   XY=            -20.3326   XZ=             -3.6126   YZ=             -4.7246
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -4.6036   YY=              6.2580   ZZ=             -1.6544
   XY=            -20.3326   XZ=             -3.6126   YZ=             -4.7246
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            207.5297  YYY=              4.0813  ZZZ=             -5.5001  XYY=             20.8410
  XXY=             24.1600  XXZ=             22.3037  XZZ=             -2.3439  YZZ=             -1.0357
  YYZ=             -0.5154  XYZ=              6.0592
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -5906.5702 YYYY=           -797.8767 ZZZZ=           -452.5230 XXXY=           -462.1820
 XXXZ=            -46.2643 YYYX=             -7.1971 YYYZ=            -21.7065 ZZZX=              2.6793
 ZZZY=              3.2971 XXYY=          -1163.0247 XXZZ=          -1097.5214 YYZZ=           -225.7376
 XXYZ=            -37.0651 YYXZ=             -6.8740 ZZXY=             -5.6783
 N-N= 1.134464895729D+03 E-N=-4.055169425802D+03  KE= 7.620904480291D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Tue Aug 17 00:07:47 2021, MaxMem=  5637144576 cpu:               3.1 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.99435487D+00 5.71604927D-01 3.45983293D-01
 Polarizability= 2.74145954D+02-1.38066658D+01 1.62745326D+02
                -8.23186857D+00-1.03438991D+01 1.13471925D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        4.0212    4.0217       -9.0443   -9.0446
 2     -4.0213   -4.0217        5.5877    5.5873      -64.8431  -64.8447
 3      9.0443    9.0446       92.3411   92.3434       -5.5866   -5.5873
 4     -5.5877   -5.5873        0.0000    0.0000        9.0447    9.0446
 5    -27.4980  -27.4988       -9.0447   -9.0446        4.0226    4.0217
 6      5.5866    5.5873       -4.0226   -4.0217        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000      -12.0650  -12.0650      -27.1339  -27.1339
 2    -16.7620  -16.7620       -0.0000    0.0000      -27.1339  -27.1339
 3    -16.7620  -16.7620      -12.0650  -12.0650       -0.0000    0.0000
 4    -12.0650  -12.0650       16.7620   16.7620     -194.5340 -194.5340
 5     27.1339   27.1339      277.0303  277.0303      -16.7620  -16.7620
 6    -82.4963  -82.4963      -27.1340  -27.1339       12.0650   12.0650
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0484    0.0000      -16.0245  -16.0867       36.2158   36.1786
 2     16.0283   16.0867      -22.4287  -22.3493      259.4079  259.3787
 3    -36.1885  -36.1786     -369.3296 -369.3737       22.3463   22.3493
 4     22.3486   22.3493        0.0313    0.0000      -36.2060  -36.1786
 5    110.0038  109.9951       36.2214   36.1786      -16.1080  -16.0867
 6    -22.3646  -22.3493       16.1350   16.0867       -0.0367    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0101    0.0000      136.6493  136.6884      -19.7772  -19.7506
 2   -136.7461 -136.6884      -85.6904  -85.7552       21.9261   22.0094
 3     19.8497   19.7506       55.6489   55.6137       85.7757   85.7552
 4     85.7417   85.7552       -0.0066    0.0000       19.7764   19.7506
 5    -77.6282  -77.6231      -19.8819  -19.7506      136.6273  136.6884
 6    -85.7602  -85.7552     -136.6700 -136.6884       -0.0213    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      6.1730    6.2026      118.3911  118.2737       67.0080   66.9375
 2    164.0882  164.1557      239.7599  239.6805       66.9171   66.9375
 3    164.1039  164.1557      118.3640  118.2737       71.5828   71.5794
 4   -121.4344 -121.4068     -157.9862 -157.9531       36.8577   36.8660
 5      4.6944    4.6419       95.9614   95.9242      157.8927  157.9531
 6   -132.9004 -132.7903       -4.8369   -4.6419      121.5032  121.4068
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.6085   -3.1447   -0.5678   -0.0009   -0.0004    0.0006
 Low frequencies ---   21.7276   33.7590   43.3801
 Diagonal vibrational polarizability:
      172.2891253      88.3924707     197.8956684
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     21.7222                33.7555                43.3794
 Red. masses --      4.8062                 6.9125                 4.4643
 Frc consts  --      0.0013                 0.0046                 0.0049
 IR Inten    --      4.9040                 4.2923                 0.6151
 RamAct Fr= 1--      4.7549                 3.8788                 1.8457
  Dep-P Fr= 1--      0.7442                 0.7477                 0.7395
  Dep-U Fr= 1--      0.8534                 0.8557                 0.8502
 Alpha2 Fr= 1--      0.0005                 0.0001                 0.0003
 Beta2  Fr= 1--      0.6763                 0.5531                 0.2616
 AlphaG Fr= 1--      0.0000                 0.0058                -0.0020
 Gamma2 Fr= 1--      1.3980                -0.2892                 1.5452
 Delta2 Fr= 1--      1.4494                -0.6869                 0.2595
 Raman1 Fr= 1--      19.020                 15.515                  7.383
 ROA1   Fr= 1--     180.589                -49.746                156.641
 CID1   Fr= 1--       9.495                 -3.206                 21.217
 Raman2 Fr= 1--       8.115                  6.638                  3.139
 ROA2   Fr= 1--      21.957                 -1.446                 35.008
 CID2   Fr= 1--       2.706                 -0.218                 11.154
 Raman3 Fr= 1--      16.231                 13.276                  6.277
 ROA3   Fr= 1--     180.589                -49.746                156.641
 CID3   Fr= 1--      11.126                 -3.747                 24.954
 RC180  Fr= 1--       0.707                  0.711                  0.700
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00  -0.09    -0.02   0.01   0.06     0.01  -0.04  -0.13
     2   6     0.01   0.03   0.05    -0.01  -0.01  -0.03     0.01  -0.03  -0.10
     3   6    -0.02   0.00  -0.14    -0.01   0.03   0.08     0.01  -0.05  -0.11
     4   6    -0.00   0.03  -0.07    -0.01   0.02   0.03     0.01  -0.04  -0.05
     5   6     0.02   0.06   0.07    -0.01  -0.00  -0.06     0.01  -0.03  -0.06
     6   6     0.02   0.05   0.12    -0.01  -0.02  -0.09     0.00  -0.03  -0.08
     7   6    -0.03  -0.03  -0.17    -0.02   0.02   0.12     0.02  -0.04  -0.12
     8   1    -0.04  -0.02  -0.24    -0.02   0.05   0.14     0.02  -0.05  -0.11
     9   1     0.03   0.08   0.13    -0.01  -0.01  -0.10     0.00  -0.03  -0.03
    10   1     0.04   0.08   0.23    -0.01  -0.04  -0.16    -0.00  -0.03  -0.08
    11   6    -0.01   0.04  -0.09    -0.01   0.01   0.03     0.02  -0.02   0.05
    12   6    -0.03   0.23  -0.07    -0.02  -0.04   0.02     0.14  -0.08   0.08
    13   6     0.03  -0.08   0.05     0.06   0.01  -0.01    -0.08   0.04   0.05
    14   1    -0.00  -0.01  -0.21    -0.02   0.01   0.04     0.01   0.02   0.14
    15   1    -0.03   0.28   0.04    -0.03  -0.06  -0.01     0.15  -0.12  -0.00
    16   1    -0.03   0.25  -0.07    -0.02  -0.05   0.01     0.15  -0.05   0.17
    17   1    -0.03   0.30  -0.18    -0.03  -0.06   0.05     0.22  -0.12   0.10
    18   8     0.14  -0.17   0.18     0.30  -0.28   0.07    -0.07   0.06   0.09
    19   8    -0.07  -0.08   0.00    -0.13   0.35  -0.16    -0.18   0.09  -0.01
    20   1    -0.13  -0.00  -0.11    -0.25   0.53  -0.23    -0.17   0.07  -0.05
    21   6    -0.03  -0.03  -0.12    -0.02   0.01   0.09     0.02  -0.01  -0.06
    22   6    -0.01  -0.01   0.03    -0.02  -0.02  -0.01     0.02   0.00  -0.01
    23   6     0.01   0.02   0.10    -0.01  -0.03  -0.07     0.01  -0.01  -0.04
    24   8     0.00  -0.00   0.09    -0.02  -0.04  -0.05     0.02   0.04   0.09
    25   6    -0.02  -0.03   0.02    -0.03  -0.04   0.01     0.04   0.09   0.28
    26   1    -0.05  -0.05  -0.28    -0.02   0.04   0.20     0.03  -0.05  -0.16
    27   1    -0.04  -0.06  -0.18    -0.03   0.01   0.14     0.03  -0.00  -0.05
    28   1     0.03   0.04   0.21    -0.01  -0.05  -0.14     0.01   0.00  -0.01
    29   1     0.00   0.04  -0.07    -0.05  -0.09   0.08     0.19   0.04   0.31
    30   1    -0.05  -0.13  -0.02    -0.01   0.04   0.04    -0.09   0.15   0.30
    31   1    -0.01  -0.03   0.09    -0.03  -0.06  -0.04     0.05   0.13   0.41
                      4                      5                      6
                      A                      A                      A
 Frequencies --     76.2641               113.4371               138.8649
 Red. masses --      3.9031                 4.6318                 4.1208
 Frc consts  --      0.0134                 0.0351                 0.0468
 IR Inten    --      3.9924                 0.1951                 0.1777
 RamAct Fr= 1--      1.2920                 1.2604                 1.5795
  Dep-P Fr= 1--      0.7113                 0.4587                 0.7167
  Dep-U Fr= 1--      0.8313                 0.6289                 0.8350
 Alpha2 Fr= 1--      0.0009                 0.0075                 0.0009
 Beta2  Fr= 1--      0.1790                 0.1321                 0.2198
 AlphaG Fr= 1--      0.0143                -0.0248                 0.0055
 Gamma2 Fr= 1--     -0.1709                -0.8324                 2.6397
 Delta2 Fr= 1--      0.2676                -0.6077                 1.4991
 Raman1 Fr= 1--       5.168                  5.041                  6.318
 ROA1   Fr= 1--      -7.840                -99.357                301.386
 CID1   Fr= 1--      -1.517                -19.708                 47.702
 Raman2 Fr= 1--       2.148                  1.585                  2.638
 ROA2   Fr= 1--      -6.242                -15.116                 51.362
 CID2   Fr= 1--      -2.906                 -9.535                 19.472
 Raman3 Fr= 1--       4.296                  3.171                  5.276
 ROA3   Fr= 1--      -7.840                -99.357                301.386
 CID3   Fr= 1--      -1.825                -31.338                 57.129
 RC180  Fr= 1--       0.663                  0.258                  0.670
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01   0.00    -0.04   0.07  -0.08    -0.00  -0.08  -0.02
     2   6    -0.01   0.01  -0.02    -0.02   0.06  -0.09    -0.02  -0.09  -0.09
     3   6    -0.01   0.03   0.05    -0.03   0.10  -0.03    -0.00  -0.05   0.10
     4   6    -0.01   0.04   0.08    -0.02   0.10  -0.00     0.00  -0.04   0.12
     5   6    -0.00   0.04   0.10    -0.02   0.08  -0.08    -0.01  -0.07  -0.01
     6   6    -0.01   0.03   0.05    -0.02   0.06  -0.12    -0.02  -0.10  -0.11
     7   6    -0.03  -0.01  -0.06    -0.09   0.03  -0.09     0.02  -0.08  -0.09
     8   1    -0.02   0.03   0.04    -0.03   0.11  -0.00    -0.01  -0.04   0.15
     9   1     0.00   0.05   0.14    -0.02   0.09  -0.09    -0.01  -0.08  -0.03
    10   1    -0.00   0.03   0.06    -0.02   0.05  -0.16    -0.02  -0.12  -0.19
    11   6    -0.01   0.02   0.03     0.00   0.01   0.07    -0.01   0.03   0.06
    12   6    -0.09   0.02   0.01     0.12  -0.16   0.09    -0.18   0.13   0.02
    13   6     0.07  -0.01   0.00     0.09  -0.02   0.04     0.03   0.04   0.03
    14   1    -0.02   0.00  -0.00    -0.11  -0.01   0.16     0.07   0.03  -0.02
    15   1    -0.08   0.04   0.04     0.26  -0.14  -0.02    -0.27   0.15   0.14
    16   1    -0.09  -0.02  -0.05     0.13  -0.31   0.15    -0.20   0.18  -0.11
    17   1    -0.15   0.04   0.02     0.05  -0.17   0.14    -0.23   0.16   0.01
    18   8     0.06  -0.03  -0.05     0.09  -0.04  -0.01     0.03   0.02  -0.04
    19   8     0.16  -0.02   0.05     0.18  -0.04   0.09     0.09   0.09   0.05
    20   1     0.15  -0.00   0.09     0.17  -0.01   0.13     0.09   0.10   0.10
    21   6    -0.03  -0.03  -0.12    -0.09   0.00  -0.04     0.02  -0.05  -0.09
    22   6    -0.03  -0.04  -0.13    -0.05   0.00   0.03     0.00  -0.01  -0.01
    23   6    -0.02  -0.02  -0.09    -0.01   0.02  -0.03    -0.03  -0.06  -0.07
    24   8    -0.03  -0.06  -0.19    -0.03  -0.03   0.19     0.01   0.10   0.19
    25   6    -0.01   0.04   0.26    -0.11  -0.14  -0.00     0.06   0.10  -0.05
    26   1    -0.04  -0.00  -0.05    -0.13   0.04  -0.12     0.05  -0.10  -0.12
    27   1    -0.04  -0.05  -0.16    -0.11  -0.01  -0.02     0.04  -0.04  -0.12
    28   1    -0.01  -0.03  -0.09     0.03   0.01  -0.01    -0.05  -0.04  -0.06
    29   1     0.18  -0.16   0.43    -0.17   0.01  -0.16     0.14   0.28  -0.28
    30   1    -0.20   0.30   0.35    -0.15  -0.33  -0.08     0.03  -0.18  -0.16
    31   1    -0.00   0.05   0.34    -0.08  -0.19   0.08     0.04   0.21   0.12
                      7                      8                      9
                      A                      A                      A
 Frequencies --    184.4744               202.9675               219.6740
 Red. masses --      3.3745                 3.9677                 1.0781
 Frc consts  --      0.0677                 0.0963                 0.0307
 IR Inten    --      0.9195                 1.8739                 0.3439
 RamAct Fr= 1--      0.0676                 1.4711                 0.2254
  Dep-P Fr= 1--      0.2935                 0.5312                 0.2988
  Dep-U Fr= 1--      0.4538                 0.6939                 0.4601
 Alpha2 Fr= 1--      0.0007                 0.0062                 0.0023
 Beta2  Fr= 1--      0.0051                 0.1701                 0.0173
 AlphaG Fr= 1--      0.0030                 0.0055                 0.0016
 Gamma2 Fr= 1--     -0.3278                -2.4018                 0.0738
 Delta2 Fr= 1--      0.0616                -1.2419                -0.0082
 Raman1 Fr= 1--       0.270                  5.885                  0.902
 ROA1   Fr= 1--     -29.495               -270.309                  6.821
 CID1   Fr= 1--    -109.079                -45.935                  7.565
 Raman2 Fr= 1--       0.061                  2.042                  0.207
 ROA2   Fr= 1--      -8.360                -47.707                  1.836
 CID2   Fr= 1--    -136.265                -23.368                  8.851
 Raman3 Fr= 1--       0.123                  4.083                  0.415
 ROA3   Fr= 1--     -29.495               -270.309                  6.821
 CID3   Fr= 1--    -240.390                -66.201                 16.443
 RC180  Fr= 1--      -0.092                  0.388                 -0.080
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05  -0.14    -0.07  -0.09   0.01    -0.01  -0.00   0.00
     2   6    -0.02  -0.05  -0.14    -0.06  -0.08   0.07    -0.01  -0.00   0.00
     3   6    -0.02  -0.05  -0.18    -0.07  -0.03  -0.06    -0.01   0.00  -0.00
     4   6    -0.00  -0.00   0.01    -0.01   0.02  -0.08     0.00   0.01  -0.00
     5   6     0.01   0.05   0.20     0.00   0.00  -0.09     0.00   0.01  -0.00
     6   6     0.00   0.01   0.06     0.01  -0.05  -0.00     0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.05    -0.07  -0.09   0.01    -0.01  -0.00   0.00
     8   1    -0.03  -0.07  -0.28    -0.14  -0.01  -0.07    -0.01   0.00  -0.01
     9   1     0.03   0.10   0.42     0.02   0.00  -0.14     0.00   0.01  -0.00
    10   1     0.01   0.03   0.16     0.07  -0.07   0.01     0.01  -0.00  -0.00
    11   6    -0.00   0.01   0.01     0.02   0.06  -0.01     0.00   0.02  -0.01
    12   6    -0.01   0.02   0.01     0.19   0.06   0.04    -0.01  -0.03  -0.02
    13   6     0.02   0.01   0.01     0.06   0.04   0.00     0.01   0.02  -0.00
    14   1     0.00   0.01   0.00    -0.02   0.05   0.02     0.02   0.03   0.01
    15   1    -0.00   0.03   0.02     0.35   0.13   0.02    -0.47  -0.34  -0.21
    16   1    -0.01   0.01  -0.00     0.21  -0.06   0.17    -0.04   0.52   0.03
    17   1    -0.03   0.03   0.00     0.17   0.12  -0.04     0.47  -0.31   0.12
    18   8     0.01   0.00  -0.01     0.07   0.02  -0.02     0.03   0.01   0.03
    19   8     0.04   0.01   0.01     0.12   0.04   0.03     0.02  -0.02   0.01
    20   1     0.04   0.01   0.03     0.11   0.05   0.06     0.01  -0.01  -0.01
    21   6     0.01   0.04   0.20    -0.05  -0.08   0.04    -0.01  -0.01   0.00
    22   6    -0.01  -0.01   0.01    -0.08  -0.07   0.06    -0.01  -0.01   0.00
    23   6    -0.02  -0.05  -0.18    -0.08  -0.07   0.14    -0.01  -0.01   0.00
    24   8    -0.01   0.02   0.04    -0.11   0.04  -0.07    -0.01   0.00   0.00
    25   6     0.00   0.02  -0.02     0.05   0.19  -0.05     0.00   0.02  -0.00
    26   1     0.01   0.02   0.14    -0.07  -0.10  -0.01    -0.01  -0.00   0.00
    27   1     0.03   0.10   0.44    -0.04  -0.08   0.02    -0.01  -0.01   0.00
    28   1    -0.03  -0.07  -0.26    -0.08  -0.06   0.17    -0.01  -0.01  -0.00
    29   1    -0.17  -0.06   0.11     0.06   0.06   0.09     0.01   0.02  -0.01
    30   1     0.21   0.14   0.04     0.24   0.34   0.02     0.00   0.01  -0.01
    31   1    -0.02  -0.03  -0.28    -0.03   0.30  -0.25    -0.00   0.03  -0.00
                     10                     11                     12
                      A                      A                      A
 Frequencies --    232.5275               252.8526               278.9220
 Red. masses --      1.5312                 2.6408                 2.7921
 Frc consts  --      0.0488                 0.0995                 0.1280
 IR Inten    --      0.3953                 4.3300                 1.5316
 RamAct Fr= 1--      1.4798                 3.2985                 3.0266
  Dep-P Fr= 1--      0.7479                 0.1288                 0.3687
  Dep-U Fr= 1--      0.8558                 0.2282                 0.5388
 Alpha2 Fr= 1--      0.0001                 0.0538                 0.0250
 Beta2  Fr= 1--      0.2111                 0.1254                 0.2718
 AlphaG Fr= 1--      0.0001                -0.0217                 0.0677
 Gamma2 Fr= 1--      1.1224                -0.8051                 1.3714
 Delta2 Fr= 1--      0.1753                 0.0386                 0.2950
 Raman1 Fr= 1--       5.919                 13.194                 12.106
 ROA1   Fr= 1--     113.363                -76.060                141.094
 CID1   Fr= 1--      19.151                 -5.765                 11.655
 Raman2 Fr= 1--       2.533                  1.505                  3.261
 ROA2   Fr= 1--      25.536                -19.632                 30.553
 CID2   Fr= 1--      10.082                -13.042                  9.369
 Raman3 Fr= 1--       5.065                  3.011                  6.522
 ROA3   Fr= 1--     113.363                -76.060                141.094
 CID3   Fr= 1--      22.380                -25.264                 21.632
 RC180  Fr= 1--       0.712                 -0.544                  0.078
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00   0.05    -0.01   0.02   0.00     0.00   0.01   0.10
     2   6    -0.01  -0.01  -0.01     0.03  -0.00  -0.01    -0.02  -0.01  -0.01
     3   6    -0.01   0.03   0.02    -0.02   0.09   0.03     0.02   0.02   0.16
     4   6     0.00   0.03  -0.01    -0.01   0.10   0.02     0.03  -0.01   0.02
     5   6     0.02   0.04   0.05     0.04   0.08  -0.01     0.00   0.00   0.06
     6   6     0.02   0.02   0.05     0.05   0.03  -0.02    -0.00   0.01   0.06
     7   6    -0.02  -0.00   0.07    -0.04  -0.01  -0.03    -0.00  -0.01  -0.01
     8   1    -0.04   0.04   0.02    -0.05   0.11   0.05     0.01   0.04   0.23
     9   1     0.03   0.06   0.08     0.08   0.11  -0.03    -0.01  -0.00   0.07
    10   1     0.04   0.01   0.07     0.09   0.01  -0.04     0.01   0.01   0.08
    11   6     0.01   0.01  -0.04    -0.03   0.05  -0.02     0.04  -0.02  -0.05
    12   6     0.06  -0.02  -0.03    -0.12  -0.14  -0.06     0.14   0.05  -0.02
    13   6    -0.00  -0.00  -0.02    -0.02   0.02  -0.00     0.01  -0.02  -0.04
    14   1    -0.02   0.01  -0.02    -0.06   0.05   0.03     0.04  -0.03  -0.07
    15   1     0.13   0.00  -0.05    -0.03  -0.13  -0.12     0.17   0.06  -0.02
    16   1     0.07  -0.09   0.02    -0.12  -0.33  -0.18     0.15   0.09   0.10
    17   1     0.03  -0.01  -0.03    -0.31  -0.16   0.08     0.24   0.06  -0.10
    18   8     0.00   0.01   0.01     0.01   0.01   0.08    -0.00   0.01  -0.02
    19   8    -0.03  -0.04  -0.03    -0.06  -0.07  -0.00    -0.04  -0.04  -0.07
    20   1    -0.03  -0.04  -0.06    -0.08  -0.04  -0.08    -0.03  -0.06  -0.11
    21   6    -0.02  -0.03   0.01    -0.02  -0.07  -0.02    -0.01  -0.02  -0.11
    22   6    -0.02  -0.04  -0.04     0.02  -0.07   0.02    -0.03  -0.00  -0.07
    23   6    -0.01  -0.05  -0.08     0.04  -0.06  -0.00    -0.04  -0.03  -0.14
    24   8    -0.02   0.01   0.02     0.01  -0.02   0.04    -0.03   0.05   0.13
    25   6     0.03   0.05  -0.02     0.15   0.09  -0.03    -0.06   0.00   0.02
    26   1    -0.03   0.01   0.11    -0.08  -0.00  -0.04     0.00  -0.02  -0.00
    27   1    -0.02  -0.03   0.00    -0.04  -0.09  -0.01    -0.01  -0.02  -0.15
    28   1    -0.01  -0.06  -0.12     0.07  -0.08   0.01    -0.05  -0.03  -0.17
    29   1     0.38   0.28  -0.36     0.03  -0.05   0.15    -0.39  -0.12   0.25
    30   1    -0.28  -0.31  -0.18     0.45   0.25   0.06     0.25   0.22   0.12
    31   1     0.04   0.23   0.49     0.07   0.14  -0.36    -0.08  -0.14  -0.42
                     13                     14                     15
                      A                      A                      A
 Frequencies --    309.4119               379.9418               405.6269
 Red. masses --      4.0225                 5.2758                 4.7443
 Frc consts  --      0.2269                 0.4487                 0.4599
 IR Inten    --      7.8900                 1.8029                 2.6533
 RamAct Fr= 1--     10.9976                 4.0168                 0.7993
  Dep-P Fr= 1--      0.1482                 0.5354                 0.6954
  Dep-U Fr= 1--      0.2581                 0.6974                 0.8203
 Alpha2 Fr= 1--      0.1708                 0.0166                 0.0008
 Beta2  Fr= 1--      0.4731                 0.4669                 0.1093
 AlphaG Fr= 1--      0.0136                -0.0963                 0.0159
 Gamma2 Fr= 1--      0.3104                -3.8749                -0.7950
 Delta2 Fr= 1--      0.3298                -0.0812                -0.4670
 Raman1 Fr= 1--      43.990                 16.067                  3.197
 ROA1   Fr= 1--      40.354               -374.592                -91.265
 CID1   Fr= 1--       0.917                -23.314                -28.546
 Raman2 Fr= 1--       5.677                  5.602                  1.311
 ROA2   Fr= 1--       4.811                -92.349                -15.344
 CID2   Fr= 1--       0.847                -16.484                -11.701
 Raman3 Fr= 1--      11.354                 11.205                  2.623
 ROA3   Fr= 1--      40.354               -374.592                -91.265
 CID3   Fr= 1--       3.554                -33.431                -34.799
 RC180  Fr= 1--      -0.484                  0.395                  0.641
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.09  -0.00    -0.07  -0.07   0.10    -0.04  -0.12  -0.03
     2   6     0.03   0.07  -0.01    -0.02  -0.09   0.10     0.01  -0.15  -0.05
     3   6    -0.01   0.07  -0.00    -0.13  -0.02  -0.06    -0.08   0.10   0.10
     4   6    -0.07   0.02  -0.02    -0.12   0.01  -0.16    -0.03   0.18   0.11
     5   6    -0.05   0.03  -0.00    -0.02  -0.02  -0.10     0.09   0.14   0.08
     6   6    -0.03   0.05   0.01     0.01  -0.07   0.15     0.11  -0.10  -0.10
     7   6    -0.04   0.05  -0.00     0.07   0.01   0.07     0.05  -0.08  -0.08
     8   1     0.03   0.06   0.01    -0.19  -0.00  -0.07    -0.21   0.16   0.13
     9   1    -0.03   0.04  -0.01     0.05   0.03  -0.16     0.22   0.24   0.11
    10   1    -0.07   0.07   0.02     0.06  -0.07   0.26     0.24  -0.17  -0.18
    11   6    -0.09  -0.08   0.05    -0.16   0.15  -0.06    -0.08   0.06   0.01
    12   6     0.06   0.12   0.12     0.00  -0.05  -0.05     0.04   0.03   0.06
    13   6    -0.09  -0.10   0.01    -0.11   0.09   0.02    -0.06  -0.04  -0.04
    14   1    -0.14  -0.12   0.01    -0.15   0.18   0.02    -0.15   0.03   0.03
    15   1    -0.06   0.07   0.16     0.13  -0.08  -0.25     0.08   0.00  -0.02
    16   1     0.06   0.37   0.30     0.02  -0.18   0.05     0.05   0.07   0.21
    17   1     0.33   0.11  -0.03    -0.02  -0.11   0.06     0.16  -0.00   0.03
    18   8    -0.12  -0.16  -0.17     0.00  -0.07   0.03    -0.05  -0.10  -0.10
    19   8     0.00   0.05   0.03     0.09   0.05   0.14    -0.07  -0.08  -0.04
    20   1     0.01   0.05   0.16    -0.00   0.21   0.20    -0.09  -0.05  -0.10
    21   6    -0.03  -0.04  -0.01     0.07   0.08  -0.09     0.07   0.06   0.05
    22   6     0.04  -0.07  -0.00     0.10   0.07  -0.13     0.07   0.08   0.09
    23   6     0.06  -0.03  -0.02    -0.01  -0.02  -0.11    -0.00  -0.01   0.09
    24   8     0.06  -0.09   0.04     0.15   0.05   0.05     0.06   0.09  -0.09
    25   6     0.21   0.02  -0.01     0.05  -0.08   0.03    -0.08  -0.02  -0.00
    26   1    -0.10   0.08  -0.00     0.22  -0.04   0.12     0.16  -0.14  -0.15
    27   1    -0.07  -0.08  -0.00     0.07   0.09  -0.10     0.08   0.07   0.05
    28   1     0.12  -0.06  -0.03    -0.16   0.04  -0.14    -0.12   0.04   0.09
    29   1     0.28  -0.01  -0.00    -0.09  -0.07   0.05    -0.14   0.00  -0.01
    30   1     0.34   0.01  -0.01     0.05  -0.05   0.04    -0.25  -0.01  -0.01
    31   1     0.14   0.16  -0.09     0.10  -0.20  -0.04    -0.00  -0.17   0.11
                     16                     17                     18
                      A                      A                      A
 Frequencies --    413.9166               417.0567               483.6631
 Red. masses --      5.0462                 3.2451                 3.9238
 Frc consts  --      0.5094                 0.3326                 0.5408
 IR Inten    --      5.1257                 0.3325                 3.9036
 RamAct Fr= 1--      1.0539                 2.5670                 2.1459
  Dep-P Fr= 1--      0.6071                 0.7464                 0.5645
  Dep-U Fr= 1--      0.7555                 0.8548                 0.7216
 Alpha2 Fr= 1--      0.0028                 0.0002                 0.0075
 Beta2  Fr= 1--      0.1327                 0.3657                 0.2581
 AlphaG Fr= 1--      0.0061                -0.0031                 0.0148
 Gamma2 Fr= 1--     -0.0226                 0.2908                -0.5576
 Delta2 Fr= 1--     -0.7051                -0.2386                -0.1258
 Raman1 Fr= 1--       4.215                 10.268                  8.584
 ROA1   Fr= 1--     -24.729                 20.283                -57.556
 CID1   Fr= 1--      -5.866                  1.975                 -6.705
 Raman2 Fr= 1--       1.592                  4.389                  3.097
 ROA2   Fr= 1--       5.100                  8.888                -12.376
 CID2   Fr= 1--       3.203                  2.025                 -3.996
 Raman3 Fr= 1--       3.185                  8.777                  6.194
 ROA3   Fr= 1--     -24.729                 20.283                -57.556
 CID3   Fr= 1--      -7.765                  2.311                 -9.292
 RC180  Fr= 1--       0.511                  0.710                  0.443
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10  -0.00  -0.03    -0.00   0.01   0.08    -0.06  -0.07  -0.03
     2   6    -0.09  -0.00  -0.05    -0.01  -0.02  -0.04    -0.06  -0.05   0.07
     3   6    -0.09  -0.06   0.11    -0.02  -0.03  -0.15    -0.07   0.03  -0.08
     4   6    -0.08  -0.05   0.12    -0.00   0.01   0.03    -0.01   0.08  -0.02
     5   6    -0.15  -0.07   0.12     0.01   0.04   0.15    -0.04   0.07  -0.14
     6   6    -0.17  -0.05  -0.06    -0.01  -0.05  -0.18    -0.01   0.01   0.10
     7   6    -0.03   0.05  -0.08     0.02   0.05   0.22     0.01  -0.01   0.06
     8   1    -0.05  -0.07   0.12    -0.04  -0.09  -0.38    -0.18   0.09  -0.03
     9   1    -0.19  -0.10   0.18     0.02   0.08   0.29    -0.01   0.07  -0.26
    10   1    -0.25  -0.03  -0.13    -0.01  -0.09  -0.35     0.09  -0.02   0.17
    11   6    -0.04   0.07  -0.05    -0.00   0.00   0.00     0.06  -0.10   0.13
    12   6     0.10   0.02  -0.04     0.00   0.01   0.01    -0.08   0.02   0.18
    13   6     0.05   0.09  -0.08     0.00  -0.00  -0.01     0.15  -0.05  -0.01
    14   1     0.03   0.11  -0.02    -0.01   0.00   0.00    -0.08  -0.17   0.14
    15   1     0.24   0.04  -0.12     0.02   0.01   0.01    -0.21   0.05   0.39
    16   1     0.12  -0.05   0.15     0.01   0.01   0.03    -0.09   0.14   0.05
    17   1     0.15   0.03  -0.08     0.01   0.01   0.00    -0.09   0.09   0.09
    18   8     0.11   0.10   0.07     0.00   0.00  -0.01     0.06   0.10  -0.01
    19   8     0.02  -0.08  -0.09    -0.00  -0.02  -0.01    -0.06  -0.05  -0.15
    20   1    -0.02  -0.04  -0.24    -0.02   0.01  -0.04     0.16  -0.39  -0.17
    21   6    -0.02   0.11   0.02    -0.01  -0.04  -0.18     0.00   0.05  -0.03
    22   6     0.05   0.07   0.06     0.00  -0.02  -0.08     0.02   0.02  -0.10
    23   6    -0.03   0.06   0.05     0.01   0.03   0.11    -0.05  -0.01  -0.02
    24   8     0.12  -0.12  -0.03     0.01   0.01   0.04     0.06   0.00   0.03
    25   6     0.22  -0.09   0.00     0.00  -0.00   0.01     0.05  -0.04   0.01
    26   1     0.03   0.01  -0.13     0.04   0.10   0.43     0.09  -0.01   0.19
    27   1    -0.03   0.10   0.02    -0.02  -0.07  -0.31     0.02   0.08   0.06
    28   1    -0.11   0.09   0.05     0.01   0.08   0.32    -0.14   0.05   0.05
    29   1     0.32  -0.09  -0.02    -0.06  -0.02   0.04     0.02  -0.03   0.01
    30   1     0.24  -0.10  -0.00     0.06   0.03   0.02     0.06  -0.04   0.01
    31   1     0.17   0.03   0.02     0.00  -0.03  -0.08     0.06  -0.05  -0.00
                     19                     20                     21
                      A                      A                      A
 Frequencies --    484.0774               518.1040               534.9537
 Red. masses --      2.5924                 2.8962                 5.9310
 Frc consts  --      0.3579                 0.4581                 1.0000
 IR Inten    --     15.9038                35.9439                 4.1766
 RamAct Fr= 1--      0.1684                 2.1812                17.7941
  Dep-P Fr= 1--      0.7491                 0.6838                 0.3392
  Dep-U Fr= 1--      0.8565                 0.8122                 0.5065
 Alpha2 Fr= 1--      0.0000                 0.0025                 0.1617
 Beta2  Fr= 1--      0.0240                 0.2953                 1.5022
 AlphaG Fr= 1--      0.0000                -0.0553                -0.0821
 Gamma2 Fr= 1--     -0.4986                 1.3259                 0.2026
 Delta2 Fr= 1--      0.0976                 0.4197                -0.0835
 Raman1 Fr= 1--       0.674                  8.725                 71.176
 ROA1   Fr= 1--     -44.744                140.714                 16.776
 CID1   Fr= 1--     -66.406                 16.128                  0.236
 Raman2 Fr= 1--       0.289                  3.543                 18.027
 ROA2   Fr= 1--     -12.748                 28.464                  5.530
 CID2   Fr= 1--     -44.178                  8.034                  0.307
 Raman3 Fr= 1--       0.577                  7.086                 36.053
 ROA3   Fr= 1--     -44.744                140.714                 16.776
 CID3   Fr= 1--     -77.528                 19.857                  0.465
 RC180  Fr= 1--       0.713                  0.624                  0.013
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.04   0.20    -0.01  -0.04   0.04     0.12  -0.00  -0.01
     2   6     0.01   0.04   0.19    -0.07  -0.04  -0.02    -0.09   0.07  -0.01
     3   6    -0.02  -0.02  -0.12    -0.01   0.04   0.02     0.07   0.10  -0.02
     4   6     0.00   0.02   0.03     0.02   0.05  -0.04    -0.06   0.05  -0.01
     5   6     0.00   0.02   0.04    -0.05   0.11   0.04    -0.25   0.12  -0.01
     6   6    -0.00  -0.02  -0.09    -0.04   0.00  -0.04    -0.23   0.10  -0.01
     7   6    -0.01  -0.02  -0.10     0.03  -0.04  -0.01     0.21  -0.05  -0.00
     8   1    -0.05  -0.10  -0.45    -0.10   0.08   0.05     0.04   0.10  -0.03
     9   1     0.00  -0.00  -0.07    -0.04   0.12   0.10    -0.31   0.07   0.01
    10   1    -0.01  -0.10  -0.40     0.03  -0.03  -0.05    -0.26   0.11  -0.00
    11   6     0.01  -0.01   0.02     0.06  -0.12  -0.07    -0.06   0.03  -0.00
    12   6    -0.01   0.00   0.03     0.03  -0.02  -0.14    -0.00   0.01   0.02
    13   6     0.02  -0.00  -0.00     0.05  -0.13   0.08    -0.01   0.05  -0.04
    14   1    -0.01  -0.02   0.02    -0.05  -0.24  -0.21    -0.06   0.05   0.04
    15   1    -0.01   0.01   0.05    -0.04  -0.03  -0.08     0.05   0.02  -0.01
    16   1    -0.01   0.02   0.02     0.02   0.01  -0.21     0.01   0.00   0.10
    17   1    -0.01   0.01   0.01     0.02  -0.02  -0.15     0.04   0.02  -0.01
    18   8     0.01   0.01  -0.01    -0.07   0.03   0.07     0.03   0.02   0.02
    19   8    -0.01  -0.02  -0.02     0.00   0.16   0.03     0.02  -0.03  -0.02
    20   1    -0.03   0.02  -0.06     0.40  -0.40   0.50    -0.09   0.12  -0.13
    21   6     0.00   0.02   0.05     0.02   0.02  -0.00     0.26  -0.23   0.04
    22   6     0.01   0.02   0.07     0.01   0.04   0.04     0.07  -0.14   0.03
    23   6    -0.01  -0.03  -0.12    -0.06  -0.00   0.02    -0.04  -0.17   0.04
    24   8     0.01  -0.00  -0.01     0.02  -0.03  -0.01     0.04   0.08  -0.02
    25   6     0.00  -0.00   0.00     0.04  -0.03   0.00    -0.08  -0.00   0.01
    26   1    -0.02  -0.11  -0.44     0.07  -0.07  -0.07     0.13  -0.02  -0.01
    27   1    -0.01  -0.02  -0.11     0.05   0.03  -0.08     0.21  -0.26   0.05
    28   1    -0.04  -0.11  -0.47    -0.12   0.02  -0.02     0.12  -0.24   0.05
    29   1     0.01  -0.01   0.01     0.06  -0.04   0.00    -0.18   0.01   0.01
    30   1    -0.00   0.00   0.00     0.05  -0.03   0.00    -0.18   0.01   0.01
    31   1     0.01  -0.01   0.00     0.03  -0.01   0.00    -0.00  -0.16   0.04
                     22                     23                     24
                      A                      A                      A
 Frequencies --    562.1624               583.2299               600.4842
 Red. masses --      1.8005                 2.5737                 2.7697
 Frc consts  --      0.3353                 0.5158                 0.5884
 IR Inten    --     22.6008                39.0534                 2.6734
 RamAct Fr= 1--      7.2066                 4.7852                 4.0396
  Dep-P Fr= 1--      0.4325                 0.2178                 0.4848
  Dep-U Fr= 1--      0.6039                 0.3576                 0.6531
 Alpha2 Fr= 1--      0.0473                 0.0620                 0.0214
 Beta2  Fr= 1--      0.7253                 0.2852                 0.4397
 AlphaG Fr= 1--     -0.2696                 0.2417                 0.0825
 Gamma2 Fr= 1--      4.3183                -0.2398                -0.2663
 Delta2 Fr= 1--      2.8032                -1.4890                 0.1062
 Raman1 Fr= 1--      28.826                 19.141                 16.158
 ROA1   Fr= 1--     504.263                -70.665                -22.168
 CID1   Fr= 1--      17.493                 -3.692                 -1.372
 Raman2 Fr= 1--       8.704                  3.423                  5.276
 ROA2   Fr= 1--      81.214                  6.158                 -7.241
 CID2   Fr= 1--       9.331                  1.799                 -1.372
 Raman3 Fr= 1--      17.408                  6.845                 10.552
 ROA3   Fr= 1--     504.263                -70.665                -22.168
 CID3   Fr= 1--      28.968                -10.323                 -2.101
 RC180  Fr= 1--       0.208                 -0.285                  0.306
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.06   0.01    -0.09   0.05   0.01     0.03   0.02   0.09
     2   6    -0.05  -0.02  -0.00     0.00  -0.02  -0.03     0.01  -0.04  -0.15
     3   6     0.04   0.02   0.00    -0.07  -0.01   0.02     0.01   0.02  -0.00
     4   6     0.06   0.03  -0.02    -0.03  -0.02  -0.04    -0.03  -0.04  -0.19
     5   6    -0.02   0.07  -0.02     0.01  -0.02   0.01     0.00  -0.00   0.01
     6   6    -0.02   0.02  -0.00     0.02  -0.00  -0.00     0.00  -0.02   0.00
     7   6     0.05  -0.06   0.01    -0.09   0.08  -0.01     0.01  -0.01   0.06
     8   1    -0.04   0.04  -0.01    -0.06  -0.01   0.04     0.03   0.06   0.20
     9   1    -0.03   0.07   0.01     0.03   0.01   0.09     0.04   0.10   0.37
    10   1     0.06  -0.00   0.03     0.01   0.02   0.07     0.03   0.07   0.36
    11   6     0.07  -0.03   0.01     0.03  -0.13  -0.01    -0.02   0.00   0.04
    12   6     0.00  -0.00  -0.02     0.00  -0.01  -0.02    -0.04  -0.00   0.09
    13   6    -0.00  -0.02   0.02     0.06  -0.08   0.02    -0.00   0.04  -0.02
    14   1     0.05  -0.04   0.01    -0.06  -0.18  -0.06    -0.03   0.03   0.11
    15   1    -0.06  -0.00   0.04    -0.05   0.02   0.10    -0.08   0.01   0.15
    16   1    -0.01   0.02  -0.11    -0.00   0.06  -0.05    -0.05   0.02   0.04
    17   1    -0.04   0.01  -0.01     0.02   0.04  -0.11    -0.07   0.02   0.08
    18   8    -0.03   0.00  -0.03    -0.03   0.08   0.04     0.04   0.01   0.00
    19   8     0.02  -0.03   0.05     0.06   0.02   0.01     0.00  -0.02  -0.03
    20   1    -0.47   0.68  -0.31    -0.37   0.64  -0.25     0.07  -0.11  -0.02
    21   6     0.02   0.04  -0.01    -0.05  -0.02   0.00    -0.00  -0.01  -0.06
    22   6    -0.05   0.05  -0.01     0.09  -0.04   0.04    -0.00   0.07   0.23
    23   6    -0.06   0.06  -0.01     0.03  -0.10   0.02     0.01   0.02  -0.03
    24   8    -0.04  -0.08   0.02     0.11   0.12  -0.04    -0.03  -0.03  -0.04
    25   6     0.05  -0.03   0.00    -0.02   0.01  -0.00    -0.00   0.00  -0.01
    26   1     0.09  -0.08   0.02    -0.12   0.08  -0.05     0.00  -0.08  -0.23
    27   1     0.11   0.11  -0.04    -0.19  -0.14  -0.03    -0.00  -0.10  -0.54
    28   1    -0.12   0.08  -0.00     0.03  -0.11  -0.00    -0.00  -0.04  -0.27
    29   1     0.13  -0.04  -0.00    -0.15   0.03   0.01     0.04  -0.02   0.01
    30   1     0.13  -0.04   0.00    -0.15   0.04  -0.00     0.01   0.02   0.00
    31   1    -0.01   0.10  -0.02     0.06  -0.18   0.04    -0.02   0.04  -0.02
                     25                     26                     27
                      A                      A                      A
 Frequencies --    630.3657               690.0618               697.3935
 Red. masses --      5.1648                 3.8696                 4.9659
 Frc consts  --      1.2092                 1.0856                 1.4230
 IR Inten    --      0.7329                 9.4380                 2.4551
 RamAct Fr= 1--      0.8355                 3.0690                 1.0083
  Dep-P Fr= 1--      0.6754                 0.1334                 0.0942
  Dep-U Fr= 1--      0.8063                 0.2354                 0.1722
 Alpha2 Fr= 1--      0.0011                 0.0495                 0.0179
 Beta2  Fr= 1--      0.1123                 0.1204                 0.0289
 AlphaG Fr= 1--      0.0249                -0.3400                 0.0318
 Gamma2 Fr= 1--      0.6813                -0.4537                -1.0382
 Delta2 Fr= 1--      0.0945                 0.6102                -0.3366
 Raman1 Fr= 1--       3.342                 12.276                  4.033
 ROA1   Fr= 1--      68.428                -24.027               -110.437
 CID1   Fr= 1--      20.474                 -1.957                -27.381
 Raman2 Fr= 1--       1.347                  1.445                  0.347
 ROA2   Fr= 1--      15.595                -15.770                -22.223
 CID2   Fr= 1--      11.575                -10.913                -64.009
 Raman3 Fr= 1--       2.695                  2.890                  0.694
 ROA3   Fr= 1--      68.428                -24.027               -110.437
 CID3   Fr= 1--      25.394                 -8.314               -159.043
 RC180  Fr= 1--       0.613                 -0.529                 -0.656
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.01   0.02     0.02  -0.03  -0.11    -0.05  -0.00  -0.07
     2   6    -0.17   0.03  -0.02     0.03  -0.02  -0.03    -0.05   0.02  -0.02
     3   6    -0.06  -0.18   0.03     0.03   0.04  -0.08    -0.09  -0.11  -0.00
     4   6     0.16  -0.05  -0.01     0.01   0.07   0.24    -0.01   0.01   0.16
     5   6     0.07   0.04  -0.03    -0.08  -0.03  -0.08     0.14  -0.01  -0.05
     6   6     0.02   0.23  -0.05    -0.05  -0.06   0.13     0.13   0.16   0.02
     7   6    -0.00   0.12  -0.01    -0.04  -0.02   0.14     0.15   0.16   0.03
     8   1    -0.11  -0.15   0.07     0.02  -0.00  -0.25    -0.09  -0.15  -0.13
     9   1    -0.11  -0.08   0.06    -0.07  -0.10  -0.45     0.10  -0.09  -0.31
    10   1     0.08   0.22   0.03    -0.08  -0.07   0.05     0.15   0.13  -0.07
    11   6     0.17   0.11   0.05     0.04   0.05  -0.00    -0.13  -0.05  -0.04
    12   6     0.02   0.01  -0.02     0.04   0.01  -0.09    -0.03  -0.01   0.03
    13   6    -0.02   0.07   0.06     0.06  -0.03   0.07    -0.06  -0.07  -0.10
    14   1     0.28   0.17   0.08     0.05   0.01  -0.11    -0.14  -0.06  -0.05
    15   1    -0.09  -0.06  -0.05     0.08  -0.02  -0.21     0.10   0.05   0.02
    16   1     0.00  -0.05  -0.30     0.05  -0.04  -0.06    -0.00   0.01   0.32
    17   1    -0.16  -0.07   0.20     0.05  -0.05  -0.01     0.13   0.04  -0.12
    18   8     0.02  -0.10  -0.15    -0.00  -0.01  -0.06    -0.06   0.02   0.14
    19   8    -0.11  -0.03   0.09    -0.06   0.00   0.05     0.11   0.03  -0.11
    20   1     0.06  -0.30   0.03    -0.06  -0.02  -0.06     0.03   0.19   0.14
    21   6     0.02  -0.00  -0.02    -0.06  -0.04  -0.10     0.14   0.01  -0.08
    22   6     0.04  -0.02   0.06     0.02   0.06   0.21    -0.02   0.01   0.12
    23   6    -0.15  -0.14   0.03     0.04   0.02  -0.07    -0.09  -0.07  -0.02
    24   8     0.08   0.04  -0.02     0.03   0.02  -0.04    -0.10  -0.10   0.01
    25   6     0.05  -0.04   0.01     0.00   0.00  -0.01    -0.02  -0.00  -0.00
    26   1    -0.00   0.11  -0.06    -0.07  -0.02   0.14     0.21   0.14   0.05
    27   1    -0.09  -0.11  -0.11    -0.08  -0.12  -0.44     0.13  -0.02  -0.24
    28   1    -0.20  -0.14  -0.04     0.04  -0.05  -0.34    -0.09  -0.11  -0.16
    29   1    -0.01  -0.03   0.01    -0.02  -0.00   0.01     0.09  -0.03  -0.00
    30   1    -0.02  -0.02   0.01    -0.05   0.03  -0.00     0.08  -0.01   0.00
    31   1     0.08  -0.12   0.02     0.02  -0.05   0.00    -0.09   0.15  -0.03
                     28                     29                     30
                      A                      A                      A
 Frequencies --    737.6486               777.4397               783.6471
 Red. masses --      5.6038                 3.3565                 3.1645
 Frc consts  --      1.7965                 1.1953                 1.1450
 IR Inten    --      6.3277                 1.8537                 1.4997
 RamAct Fr= 1--     17.8661                37.4815                31.6134
  Dep-P Fr= 1--      0.0599                 0.0833                 0.0962
  Dep-U Fr= 1--      0.1130                 0.1538                 0.1755
 Alpha2 Fr= 1--      0.3447                 0.6835                 0.5587
 Beta2  Fr= 1--      0.3366                 0.9607                 0.9245
 AlphaG Fr= 1--     -0.0886                 0.1704                -0.2950
 Gamma2 Fr= 1--     -2.1823                 1.9882                -0.5371
 Delta2 Fr= 1--     -0.0426                -0.0236                 0.7818
 Raman1 Fr= 1--      71.465                149.926                126.454
 ROA1   Fr= 1--    -210.864                190.110                -26.542
 CID1   Fr= 1--      -2.951                  1.268                 -0.210
 Raman2 Fr= 1--       4.039                 11.528                 11.094
 ROA2   Fr= 1--     -52.034                 47.905                -19.143
 CID2   Fr= 1--     -12.883                  4.155                 -1.726
 Raman3 Fr= 1--       8.078                 23.056                 22.187
 ROA3   Fr= 1--    -210.864                190.110                -26.542
 CID3   Fr= 1--     -26.103                  8.246                 -1.196
 RC180  Fr= 1--      -0.774                 -0.692                 -0.649
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.08   0.03    -0.01   0.03  -0.17    -0.02  -0.09  -0.14
     2   6     0.04  -0.03  -0.01    -0.01  -0.04   0.18     0.03   0.11   0.16
     3   6    -0.10   0.02  -0.00     0.05   0.10   0.01    -0.06  -0.07   0.06
     4   6    -0.11   0.01  -0.04     0.01   0.00  -0.08    -0.03  -0.04  -0.11
     5   6     0.02  -0.09   0.01    -0.02   0.02   0.08     0.03   0.01   0.07
     6   6     0.01  -0.13   0.01    -0.03  -0.17   0.01     0.02   0.12  -0.09
     7   6     0.15   0.22  -0.08     0.02   0.17  -0.02    -0.01  -0.13   0.04
     8   1    -0.05   0.01   0.04     0.09   0.15   0.25    -0.07   0.01   0.35
     9   1     0.13   0.02   0.13     0.06   0.06  -0.05    -0.04  -0.04   0.11
    10   1    -0.04  -0.08   0.13     0.03  -0.26  -0.24    -0.06   0.12  -0.24
    11   6    -0.05   0.07  -0.00     0.09  -0.06   0.02    -0.07   0.03  -0.02
    12   6     0.00   0.01  -0.05     0.03  -0.01  -0.01    -0.03   0.00   0.02
    13   6     0.26  -0.09   0.20    -0.09   0.09  -0.06     0.09  -0.05   0.06
    14   1    -0.23  -0.13  -0.26     0.14   0.04   0.20    -0.16  -0.06  -0.13
    15   1     0.08  -0.06  -0.27    -0.12   0.03   0.21     0.05  -0.02  -0.10
    16   1     0.02  -0.08   0.01     0.00   0.08  -0.21    -0.01  -0.05   0.14
    17   1     0.03  -0.10   0.10    -0.06   0.08  -0.09     0.02  -0.05   0.07
    18   8     0.05   0.08  -0.15     0.02  -0.03   0.01     0.01   0.04  -0.03
    19   8    -0.13   0.01   0.10     0.01  -0.01   0.02    -0.02   0.01   0.01
    20   1    -0.13  -0.05  -0.31     0.02  -0.02   0.06    -0.04   0.02  -0.10
    21   6     0.15   0.03   0.01     0.01   0.03  -0.10    -0.00  -0.06  -0.09
    22   6    -0.00  -0.05  -0.03     0.02   0.00   0.08    -0.00   0.03   0.07
    23   6     0.02  -0.05   0.02    -0.05  -0.09   0.01     0.05   0.07  -0.03
    24   8    -0.13  -0.11   0.04    -0.04  -0.03   0.00     0.02   0.02  -0.01
    25   6    -0.06   0.04  -0.00    -0.01   0.01  -0.00     0.00  -0.00  -0.00
    26   1     0.19   0.19  -0.13     0.02   0.26   0.29     0.04  -0.05   0.42
    27   1     0.10   0.00   0.03    -0.07   0.02   0.16     0.09   0.07   0.22
    28   1     0.06  -0.06   0.08    -0.15  -0.15  -0.36     0.10  -0.07  -0.48
    29   1     0.06   0.01  -0.01     0.03  -0.00  -0.00    -0.01   0.00   0.00
    30   1     0.06   0.01  -0.00     0.02   0.00  -0.00    -0.02   0.00  -0.00
    31   1    -0.15   0.21  -0.04    -0.04   0.06  -0.00     0.02  -0.03   0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --    820.2940               825.7872               837.0407
 Red. masses --      1.4563                 1.8502                 2.5557
 Frc consts  --      0.5773                 0.7434                 1.0550
 IR Inten    --     27.7997                 3.1969                 7.3304
 RamAct Fr= 1--      0.8225                 1.6609                 4.0983
  Dep-P Fr= 1--      0.2840                 0.3135                 0.3403
  Dep-U Fr= 1--      0.4423                 0.4774                 0.5078
 Alpha2 Fr= 1--      0.0088                 0.0164                 0.0371
 Beta2  Fr= 1--      0.0606                 0.1322                 0.3469
 AlphaG Fr= 1--     -0.0145                -0.0089                -0.0544
 Gamma2 Fr= 1--      0.2756                 0.5134                -0.3153
 Delta2 Fr= 1--     -0.0260                 0.1412                 0.5323
 Raman1 Fr= 1--       3.290                  6.644                 16.393
 ROA1   Fr= 1--      25.625                 53.807                -13.232
 CID1   Fr= 1--       7.789                  8.099                 -0.807
 Raman2 Fr= 1--       0.728                  1.586                  4.162
 ROA2   Fr= 1--       6.822                 11.192                -11.824
 CID2   Fr= 1--       9.376                  7.058                 -2.841
 Raman3 Fr= 1--       1.455                  3.172                  8.325
 ROA3   Fr= 1--      25.625                 53.807                -13.232
 CID3   Fr= 1--      17.609                 16.965                 -1.590
 RC180  Fr= 1--      -0.115                 -0.045                  0.016
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03   0.09     0.02  -0.00  -0.08     0.06   0.04   0.00
     2   6    -0.01  -0.01  -0.02    -0.01   0.01   0.10    -0.06  -0.04  -0.02
     3   6     0.02   0.01   0.00     0.05   0.01  -0.03     0.13   0.04  -0.01
     4   6     0.01   0.01   0.04     0.02   0.01   0.06     0.03  -0.03  -0.09
     5   6    -0.00  -0.02  -0.07    -0.00  -0.02  -0.06     0.03  -0.02   0.07
     6   6    -0.01  -0.02  -0.03    -0.01  -0.05  -0.09     0.00  -0.03   0.07
     7   6    -0.01  -0.01  -0.09    -0.01   0.03   0.06    -0.03   0.02  -0.02
     8   1     0.02  -0.07  -0.29     0.09   0.06   0.21     0.24   0.01   0.02
     9   1     0.02   0.07   0.28     0.03   0.11   0.48     0.01  -0.11  -0.30
    10   1     0.03   0.07   0.38     0.04   0.08   0.49     0.02  -0.16  -0.40
    11   6     0.00   0.02   0.00     0.00   0.07   0.01    -0.03   0.13  -0.02
    12   6    -0.00   0.01   0.00    -0.00   0.02   0.01    -0.04   0.04   0.08
    13   6    -0.00  -0.02  -0.00     0.00  -0.07   0.00     0.05  -0.12   0.04
    14   1     0.02   0.01  -0.03     0.04   0.04  -0.09    -0.02   0.05  -0.22
    15   1     0.02  -0.01  -0.05     0.05  -0.03  -0.16     0.08  -0.08  -0.27
    16   1     0.00  -0.02   0.02     0.01  -0.07   0.04    -0.02  -0.16   0.14
    17   1    -0.00  -0.02   0.05    -0.01  -0.07   0.15    -0.06  -0.15   0.37
    18   8    -0.01  -0.00   0.01    -0.04  -0.01   0.02    -0.06   0.01   0.02
    19   8     0.01   0.00  -0.02     0.03   0.01  -0.05     0.03   0.01  -0.07
    20   1     0.01   0.00   0.02    -0.00   0.06   0.03    -0.01   0.09  -0.01
    21   6    -0.01  -0.02  -0.09    -0.01   0.01   0.05    -0.04  -0.00  -0.01
    22   6     0.00   0.01   0.06    -0.01  -0.02  -0.08    -0.02   0.03   0.04
    23   6    -0.02  -0.00   0.03    -0.04  -0.01   0.05    -0.12  -0.05  -0.02
    24   8     0.00   0.00  -0.01     0.01   0.01   0.02     0.03   0.03  -0.02
    25   6     0.01  -0.00  -0.00     0.01  -0.01   0.00     0.04  -0.04   0.00
    26   1     0.01   0.13   0.46    -0.06  -0.04  -0.28    -0.11   0.07   0.06
    27   1     0.02   0.14   0.58    -0.05  -0.08  -0.30    -0.05  -0.00   0.06
    28   1    -0.05  -0.05  -0.20    -0.10  -0.08  -0.33    -0.21   0.06   0.27
    29   1     0.01  -0.00  -0.01    -0.00  -0.01   0.01     0.02  -0.03   0.00
    30   1    -0.00  -0.01  -0.00     0.01  -0.01   0.01     0.01  -0.03   0.00
    31   1     0.01  -0.00   0.03     0.02  -0.02  -0.01     0.06  -0.06   0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --    856.7248               896.5177               922.8416
 Red. masses --      3.2179                 1.6913                 1.4952
 Frc consts  --      1.3916                 0.8009                 0.7503
 IR Inten    --      3.4848                34.0012                 7.9393
 RamAct Fr= 1--     21.5316                 2.1813                 1.0419
  Dep-P Fr= 1--      0.0979                 0.7233                 0.4960
  Dep-U Fr= 1--      0.1783                 0.8394                 0.6631
 Alpha2 Fr= 1--      0.3789                 0.0010                 0.0052
 Beta2  Fr= 1--      0.6400                 0.3052                 0.1151
 AlphaG Fr= 1--      0.4171                 0.0054                 0.0490
 Gamma2 Fr= 1--     -0.0954                -0.2774                -0.0275
 Delta2 Fr= 1--     -0.6432                -0.1745                -0.1430
 Raman1 Fr= 1--      86.126                  8.725                  4.168
 ROA1   Fr= 1--     -29.737                -32.218                 -7.213
 CID1   Fr= 1--      -0.345                 -3.692                 -1.731
 Raman2 Fr= 1--       7.680                  3.662                  1.382
 ROA2   Fr= 1--       2.856                 -5.263                  0.485
 CID2   Fr= 1--       0.372                 -1.437                  0.351
 Raman3 Fr= 1--      15.359                  7.324                  2.764
 ROA3   Fr= 1--     -29.737                -32.218                 -7.213
 CID3   Fr= 1--      -1.936                 -4.399                 -2.610
 RC180  Fr= 1--      -0.643                  0.679                  0.326
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.03   0.03    -0.00  -0.01  -0.03     0.01   0.02   0.07
     2   6     0.07   0.01  -0.02     0.01   0.03   0.11    -0.01  -0.00  -0.03
     3   6    -0.13  -0.06   0.02     0.00   0.00   0.00    -0.01  -0.02  -0.16
     4   6     0.01   0.03  -0.03    -0.00   0.00   0.02    -0.01   0.01   0.06
     5   6    -0.08   0.03   0.01    -0.00  -0.01  -0.05     0.01  -0.02   0.00
     6   6    -0.07  -0.03   0.03    -0.00  -0.01  -0.05     0.01   0.01   0.02
     7   6     0.02   0.02  -0.01     0.00   0.00   0.02     0.00  -0.00   0.01
     8   1    -0.27   0.01   0.08     0.00   0.01   0.04     0.04   0.22   0.83
     9   1    -0.11  -0.01  -0.05     0.02   0.09   0.36     0.02  -0.02  -0.01
    10   1    -0.16  -0.03  -0.12     0.01   0.03   0.13    -0.02  -0.02  -0.10
    11   6     0.16   0.14   0.06    -0.00  -0.01   0.01    -0.01  -0.00   0.02
    12   6     0.06   0.05   0.03     0.00  -0.00  -0.01     0.01  -0.00  -0.03
    13   6    -0.04  -0.11  -0.01    -0.00   0.00  -0.00    -0.00  -0.00  -0.01
    14   1     0.17   0.13   0.06     0.00  -0.00   0.00    -0.00   0.01   0.05
    15   1    -0.14  -0.10  -0.07     0.01   0.01  -0.00     0.00   0.01   0.00
    16   1     0.03  -0.06  -0.43     0.00   0.01   0.01     0.01   0.02  -0.01
    17   1    -0.24  -0.10   0.43     0.02   0.01  -0.03     0.03   0.02  -0.07
    18   8    -0.10  -0.05   0.05     0.00  -0.00   0.00    -0.00  -0.00   0.00
    19   8     0.07   0.00  -0.12    -0.00  -0.00   0.00     0.00  -0.00   0.00
    20   1     0.01   0.12   0.10     0.00  -0.01   0.00    -0.02   0.03  -0.01
    21   6     0.03   0.00  -0.01    -0.00  -0.01  -0.03     0.00  -0.03  -0.05
    22   6     0.04  -0.02   0.02     0.01   0.02   0.09    -0.01   0.01   0.01
    23   6     0.15   0.04  -0.04    -0.01  -0.04  -0.18    -0.01   0.01   0.01
    24   8    -0.03  -0.05   0.01    -0.00  -0.00  -0.02     0.00   0.01  -0.01
    25   6    -0.06   0.05  -0.01     0.00  -0.00  -0.00     0.01  -0.01   0.00
    26   1     0.12  -0.01   0.03    -0.00  -0.00  -0.02    -0.03  -0.05  -0.21
    27   1     0.01   0.00   0.05     0.00   0.01   0.04     0.04   0.08   0.38
    28   1     0.30   0.01   0.08     0.05   0.21   0.86    -0.02   0.01  -0.00
    29   1    -0.02   0.04  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    30   1    -0.02   0.04  -0.01    -0.00   0.00  -0.00     0.01  -0.01   0.00
    31   1    -0.08   0.09  -0.01     0.00   0.00   0.00     0.01  -0.01   0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --    936.7644               953.9645               967.4276
 Red. masses --      3.5890                 1.3449                 1.3279
 Frc consts  --      1.8556                 0.7211                 0.7323
 IR Inten    --     13.7091                 1.6100                 1.4722
 RamAct Fr= 1--      7.6559                 1.4083                 1.0723
  Dep-P Fr= 1--      0.3517                 0.6198                 0.7496
  Dep-U Fr= 1--      0.5204                 0.7653                 0.8569
 Alpha2 Fr= 1--      0.0668                 0.0034                 0.0000
 Beta2  Fr= 1--      0.6640                 0.1796                 0.1531
 AlphaG Fr= 1--      0.1536                 0.0062                -0.0039
 Gamma2 Fr= 1--      3.8601                -0.5343                 0.2617
 Delta2 Fr= 1--     -1.7273                 0.4891                -0.2205
 Raman1 Fr= 1--      30.624                  5.633                  4.289
 ROA1   Fr= 1--     315.299                -35.642                 18.065
 CID1   Fr= 1--      10.296                 -6.327                  4.212
 Raman2 Fr= 1--       7.968                  2.156                  1.838
 ROA2   Fr= 1--     106.462                -16.736                  8.044
 CID2   Fr= 1--      13.361                 -7.764                  4.378
 Raman3 Fr= 1--      15.936                  4.311                  3.675
 ROA3   Fr= 1--     315.299                -35.642                 18.065
 CID3   Fr= 1--      19.785                 -8.267                  4.915
 RC180  Fr= 1--       0.041                  0.531                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.06   0.02     0.00   0.01   0.04    -0.00  -0.00  -0.02
     2   6     0.04  -0.07   0.01     0.00  -0.00   0.00    -0.00  -0.00  -0.02
     3   6     0.08  -0.13  -0.00    -0.00  -0.01  -0.06     0.00   0.01   0.03
     4   6     0.11  -0.03   0.01     0.00   0.00   0.02    -0.00   0.00   0.00
     5   6    -0.12   0.19  -0.04    -0.00  -0.00  -0.03    -0.01  -0.03  -0.11
     6   6    -0.04   0.02   0.00     0.00   0.01   0.02     0.01   0.03   0.11
     7   6    -0.03   0.04   0.00    -0.01  -0.03  -0.12     0.00   0.01   0.03
     8   1     0.12  -0.09   0.20     0.02   0.07   0.29    -0.01  -0.03  -0.13
     9   1    -0.21   0.13  -0.02     0.00   0.04   0.18     0.04   0.16   0.66
    10   1     0.16  -0.06  -0.02    -0.00  -0.03  -0.14    -0.04  -0.16  -0.65
    11   6    -0.05  -0.02  -0.07    -0.01  -0.00   0.01    -0.00  -0.00   0.01
    12   6    -0.09   0.00   0.05    -0.00  -0.00  -0.01     0.00  -0.00  -0.01
    13   6     0.01   0.02  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    14   1     0.07  -0.05  -0.27     0.00   0.00   0.01     0.00  -0.00  -0.00
    15   1     0.19   0.02  -0.18     0.01   0.01  -0.01     0.01   0.00  -0.00
    16   1    -0.04  -0.10   0.48     0.00   0.00   0.02     0.00   0.00   0.00
    17   1     0.14  -0.06   0.01     0.02   0.00  -0.03     0.01   0.00  -0.01
    18   8     0.02   0.01  -0.01    -0.00  -0.00   0.00     0.00  -0.00   0.00
    19   8    -0.01   0.00   0.03     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    20   1    -0.01  -0.00  -0.01    -0.00   0.01  -0.00     0.00  -0.01   0.00
    21   6    -0.11   0.19  -0.06     0.00   0.03   0.09    -0.00  -0.00  -0.01
    22   6     0.10  -0.04   0.01     0.00  -0.00  -0.00    -0.00  -0.00  -0.01
    23   6     0.11  -0.12   0.02     0.00  -0.01  -0.01     0.00   0.01   0.02
    24   8    -0.01  -0.07   0.02     0.00  -0.00   0.00    -0.00   0.00   0.00
    25   6    -0.08   0.08  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    26   1     0.15  -0.05  -0.10     0.05   0.16   0.70    -0.01  -0.04  -0.16
    27   1    -0.17   0.17   0.09    -0.04  -0.12  -0.53     0.01   0.02   0.08
    28   1     0.19  -0.16   0.03     0.01  -0.00   0.02    -0.01  -0.02  -0.10
    29   1    -0.04   0.06  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    30   1    -0.04   0.06  -0.02    -0.00   0.01   0.00     0.00  -0.00   0.00
    31   1    -0.10   0.12  -0.02    -0.00   0.00  -0.02     0.00  -0.00   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    979.8591              1029.0931              1069.4625
 Red. masses --      3.5405                 2.1354                 3.6636
 Frc consts  --      2.0028                 1.3324                 2.4688
 IR Inten    --      1.7837                 4.7051                54.9361
 RamAct Fr= 1--     20.1748                 3.9981                 4.7717
  Dep-P Fr= 1--      0.1325                 0.4037                 0.1249
  Dep-U Fr= 1--      0.2341                 0.5752                 0.2221
 Alpha2 Fr= 1--      0.3259                 0.0292                 0.0786
 Beta2  Fr= 1--      0.7870                 0.3833                 0.1766
 AlphaG Fr= 1--     -0.2486                 0.1378                 0.0220
 Gamma2 Fr= 1--     -1.0733                -0.4536                 0.0299
 Delta2 Fr= 1--     -0.0185                -1.3853                -0.1489
 Raman1 Fr= 1--      80.699                 15.992                 19.087
 ROA1   Fr= 1--    -103.630                -87.873                 -1.897
 CID1   Fr= 1--      -1.284                 -5.495                 -0.099
 Raman2 Fr= 1--       9.444                  4.600                  2.119
 ROA2   Fr= 1--     -25.612                  0.196                  1.909
 CID2   Fr= 1--      -2.712                  0.043                  0.901
 Raman3 Fr= 1--      18.889                  9.199                  4.239
 ROA3   Fr= 1--    -103.630                -87.873                 -1.897
 CID3   Fr= 1--      -5.486                 -9.552                 -0.448
 RC180  Fr= 1--      -0.532                  0.150                 -0.556
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.03   0.00     0.05   0.00  -0.01     0.01  -0.01   0.00
     2   6     0.00   0.02  -0.01     0.00  -0.02   0.00     0.07   0.04  -0.01
     3   6     0.04   0.17  -0.03     0.05  -0.10   0.03    -0.03  -0.04   0.01
     4   6    -0.08  -0.00   0.00    -0.02  -0.03  -0.01    -0.00   0.01   0.00
     5   6     0.04  -0.17   0.04    -0.03   0.09  -0.01    -0.02   0.04  -0.01
     6   6     0.01   0.13  -0.03     0.01  -0.01   0.00    -0.01  -0.04   0.01
     7   6    -0.00  -0.12   0.03    -0.01   0.02  -0.00     0.04   0.02  -0.01
     8   1     0.05   0.15  -0.10     0.26  -0.21  -0.03    -0.06  -0.03   0.02
     9   1    -0.06  -0.25   0.05    -0.01   0.11  -0.05     0.06   0.10  -0.02
    10   1    -0.28   0.25  -0.04     0.20  -0.08   0.01    -0.03  -0.03   0.01
    11   6    -0.01   0.03   0.06    -0.12   0.09   0.13     0.01  -0.01  -0.01
    12   6     0.05   0.00  -0.04     0.06  -0.04  -0.12     0.00   0.01   0.01
    13   6     0.01  -0.02   0.01     0.04  -0.05   0.06    -0.00   0.00  -0.01
    14   1    -0.07   0.05   0.18    -0.34   0.14   0.52    -0.00  -0.02  -0.03
    15   1    -0.09  -0.01   0.07    -0.10   0.05   0.21    -0.01  -0.01  -0.01
    16   1     0.03   0.06  -0.28     0.03   0.19  -0.29     0.00  -0.01  -0.02
    17   1    -0.08   0.04  -0.02    -0.02   0.14  -0.34    -0.02  -0.01   0.05
    18   8    -0.01  -0.00   0.00    -0.02   0.00   0.00     0.00   0.00  -0.00
    19   8     0.01  -0.00  -0.02     0.01  -0.00  -0.06    -0.00  -0.00   0.00
    20   1     0.01  -0.01  -0.02     0.01  -0.01  -0.06    -0.01   0.01   0.01
    21   6    -0.06   0.22  -0.05    -0.03   0.01  -0.00    -0.02   0.11  -0.02
    22   6     0.07  -0.01  -0.00    -0.00   0.00   0.00    -0.16  -0.06   0.02
    23   6    -0.02  -0.22   0.05     0.00  -0.00   0.00     0.03  -0.08   0.02
    24   8    -0.00  -0.04   0.01     0.00   0.00  -0.00    -0.15   0.21  -0.04
    25   6    -0.05   0.04  -0.01     0.00   0.00  -0.00     0.18  -0.21   0.04
    26   1     0.33  -0.26   0.02    -0.06   0.04  -0.01     0.24  -0.06  -0.00
    27   1     0.08   0.33  -0.07    -0.06  -0.01   0.01     0.13   0.23  -0.06
    28   1     0.06  -0.25   0.05    -0.01   0.00  -0.00     0.63  -0.34   0.04
    29   1    -0.00   0.03  -0.01    -0.00   0.00   0.00     0.09  -0.15   0.02
    30   1    -0.00   0.03  -0.01    -0.00   0.00  -0.00     0.09  -0.14   0.04
    31   1    -0.07   0.08  -0.02     0.01  -0.01   0.00     0.15  -0.16   0.03
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1090.5916              1098.9766              1166.7862
 Red. masses --      2.1334                 1.9742                 1.5265
 Frc consts  --      1.4950                 1.4048                 1.2244
 IR Inten    --      2.8333                20.1617                18.3443
 RamAct Fr= 1--      1.8032                13.7386                 3.9037
  Dep-P Fr= 1--      0.6957                 0.2000                 0.6829
  Dep-U Fr= 1--      0.8205                 0.3334                 0.8116
 Alpha2 Fr= 1--      0.0017                 0.1865                 0.0046
 Beta2  Fr= 1--      0.2466                 0.7634                 0.5280
 AlphaG Fr= 1--     -0.0029                -0.3073                 0.0000
 Gamma2 Fr= 1--     -0.2107                -2.4817                -0.3644
 Delta2 Fr= 1--      0.1021                 2.3005                -1.3010
 Raman1 Fr= 1--       7.213                 54.954                 15.615
 ROA1   Fr= 1--     -16.956               -164.633                -76.619
 CID1   Fr= 1--      -2.351                 -2.996                 -4.907
 Raman2 Fr= 1--       2.959                  9.161                  6.337
 ROA2   Fr= 1--      -5.873                -77.966                  1.662
 CID2   Fr= 1--      -1.985                 -8.511                  0.262
 Raman3 Fr= 1--       5.918                 18.322                 12.673
 ROA3   Fr= 1--     -16.956               -164.633                -76.619
 CID3   Fr= 1--      -2.865                 -8.986                 -6.046
 RC180  Fr= 1--       0.641                 -0.333                  0.623
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.00    -0.02  -0.01   0.01     0.02   0.07  -0.02
     2   6    -0.01   0.02  -0.00     0.00  -0.00  -0.00     0.01   0.05  -0.01
     3   6     0.01   0.00  -0.00    -0.02   0.05   0.00    -0.05  -0.04   0.02
     4   6     0.10   0.06  -0.01     0.05  -0.00  -0.06    -0.06  -0.03   0.00
     5   6     0.02  -0.06   0.01     0.01  -0.02   0.02     0.02   0.05  -0.01
     6   6    -0.05  -0.03   0.01    -0.01  -0.00   0.00    -0.03  -0.04   0.01
     7   6     0.01   0.01  -0.00     0.00   0.01  -0.00    -0.05  -0.06   0.02
     8   1    -0.17   0.08  -0.01    -0.22   0.11  -0.08     0.11  -0.11   0.02
     9   1    -0.04  -0.11   0.05    -0.02  -0.06  -0.03     0.39   0.33  -0.11
    10   1    -0.22   0.03   0.00    -0.10   0.03  -0.01    -0.16   0.01   0.01
    11   6     0.04   0.14  -0.15     0.05  -0.00   0.16     0.05   0.01  -0.00
    12   6    -0.05  -0.13   0.06    -0.11  -0.01  -0.12    -0.02  -0.01   0.00
    13   6     0.05  -0.08  -0.01    -0.02   0.02   0.09     0.01  -0.02  -0.02
    14   1    -0.03   0.23   0.17     0.31   0.10   0.11     0.23   0.11   0.01
    15   1    -0.04   0.11   0.55     0.32   0.13  -0.27     0.05   0.03   0.02
    16   1    -0.06   0.24   0.26    -0.05  -0.03   0.52    -0.01   0.01   0.09
    17   1     0.08   0.17  -0.44     0.32  -0.02  -0.35     0.05   0.00  -0.06
    18   8    -0.02  -0.00  -0.00    -0.03  -0.03   0.00    -0.00   0.00  -0.00
    19   8    -0.02   0.02   0.03     0.04  -0.01  -0.07    -0.01   0.00   0.01
    20   1    -0.04   0.05   0.15     0.05  -0.04  -0.13    -0.02   0.03   0.08
    21   6    -0.01   0.00   0.00     0.01  -0.01   0.00     0.05   0.03  -0.01
    22   6    -0.00  -0.01   0.00    -0.00  -0.01   0.00    -0.02  -0.00   0.00
    23   6     0.01   0.00  -0.00     0.01   0.01  -0.00    -0.04  -0.05   0.01
    24   8     0.00  -0.00  -0.00    -0.01   0.01  -0.00     0.04  -0.02   0.00
    25   6     0.00   0.00  -0.00     0.01  -0.01   0.00    -0.03   0.02  -0.01
    26   1     0.04   0.00  -0.00     0.03   0.00  -0.00    -0.36   0.06   0.01
    27   1    -0.05  -0.03   0.01    -0.01  -0.02   0.01     0.50   0.36  -0.12
    28   1     0.07  -0.03   0.00     0.03   0.00  -0.00     0.01  -0.07   0.02
    29   1    -0.01   0.00   0.00     0.00  -0.01   0.00     0.02   0.00  -0.00
    30   1    -0.01   0.00  -0.00     0.00  -0.00   0.00     0.01   0.02  -0.00
    31   1     0.00  -0.01   0.00     0.01  -0.00   0.00    -0.01  -0.01   0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1172.5185              1175.7493              1181.4183
 Red. masses --      1.2705                 2.0340                 1.7999
 Frc consts  --      1.0291                 1.6566                 1.4802
 IR Inten    --      0.8252                77.6461                 6.0445
 RamAct Fr= 1--      0.6264                36.5038                11.3083
  Dep-P Fr= 1--      0.7499                 0.3648                 0.7330
  Dep-U Fr= 1--      0.8571                 0.5345                 0.8459
 Alpha2 Fr= 1--      0.0000                 0.3053                 0.0033
 Beta2  Fr= 1--      0.0895                 3.2521                 1.5943
 AlphaG Fr= 1--     -0.0009                -0.0020                 0.0066
 Gamma2 Fr= 1--     -0.0404                 4.4539                 1.1869
 Delta2 Fr= 1--     -0.0301                 5.3672                -1.2355
 Raman1 Fr= 1--       2.506                146.015                 45.233
 ROA1   Fr= 1--      -4.839                599.322                 74.404
 CID1   Fr= 1--      -1.931                  4.105                  1.645
 Raman2 Fr= 1--       1.074                 39.025                 19.132
 ROA2   Fr= 1--      -0.728                 63.955                 38.368
 CID2   Fr= 1--      -0.678                  1.639                  2.005
 Raman3 Fr= 1--       2.148                 78.050                 38.264
 ROA3   Fr= 1--      -4.839                599.322                 74.404
 CID3   Fr= 1--      -2.253                  7.679                  1.945
 RC180  Fr= 1--       0.714                  0.069                  0.692
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.02  -0.02   0.00    -0.02   0.04  -0.01
     2   6    -0.00  -0.00  -0.00    -0.03   0.06  -0.01     0.02  -0.04   0.01
     3   6     0.00   0.00   0.00     0.02  -0.05   0.00    -0.02   0.03  -0.01
     4   6     0.00   0.00  -0.00     0.09   0.06   0.00    -0.03  -0.03   0.03
     5   6    -0.00  -0.00   0.00     0.06  -0.02  -0.00    -0.05   0.00  -0.00
     6   6     0.00   0.00   0.00    -0.05  -0.06   0.02     0.05   0.03  -0.01
     7   6     0.00   0.00  -0.00     0.01   0.01  -0.00    -0.03  -0.03   0.01
     8   1    -0.00   0.00  -0.00    -0.16   0.03   0.03     0.09  -0.00   0.02
     9   1    -0.01  -0.00   0.00     0.33   0.19  -0.05    -0.35  -0.21   0.08
    10   1     0.00  -0.00  -0.00    -0.38   0.07   0.01     0.39  -0.10   0.00
    11   6    -0.00  -0.00  -0.00    -0.05  -0.03  -0.05     0.02   0.02  -0.09
    12   6     0.00   0.00   0.00     0.03  -0.01   0.01     0.01  -0.05   0.04
    13   6    -0.00   0.00   0.00    -0.05   0.10   0.15    -0.03   0.06   0.14
    14   1    -0.00  -0.00  -0.00    -0.34  -0.23  -0.18     0.10   0.02  -0.18
    15   1    -0.00  -0.00   0.00    -0.09  -0.04   0.06    -0.06   0.00   0.20
    16   1     0.00   0.00  -0.00     0.01   0.01  -0.12    -0.01   0.07  -0.03
    17   1    -0.00   0.00   0.00    -0.08   0.01   0.04    -0.03   0.05  -0.08
    18   8    -0.00  -0.00   0.00    -0.03  -0.03   0.00    -0.04  -0.03   0.00
    19   8     0.00   0.00  -0.00     0.06   0.01  -0.06     0.05   0.01  -0.05
    20   1     0.00  -0.00  -0.00     0.12  -0.16  -0.46     0.11  -0.14  -0.42
    21   6    -0.00  -0.00   0.00    -0.02   0.02  -0.00     0.04  -0.01   0.00
    22   6     0.00   0.00   0.00    -0.04  -0.02   0.01     0.02   0.03  -0.01
    23   6     0.00  -0.00  -0.00    -0.03   0.00   0.00     0.03  -0.02   0.00
    24   8     0.00   0.01   0.06     0.04  -0.04   0.01    -0.01   0.03  -0.01
    25   6    -0.01  -0.03  -0.13     0.00   0.06  -0.01    -0.03  -0.05   0.01
    26   1     0.00  -0.00  -0.00     0.05  -0.00  -0.00    -0.26   0.06   0.00
    27   1    -0.00   0.00   0.01    -0.03   0.02  -0.00     0.27   0.15  -0.06
    28   1     0.00   0.00   0.01     0.15  -0.08   0.01    -0.05   0.01   0.00
    29   1     0.39  -0.48   0.27    -0.11   0.04   0.03     0.15  -0.04  -0.03
    30   1    -0.36   0.56   0.07    -0.11   0.03  -0.03     0.15  -0.03   0.03
    31   1     0.02   0.07   0.27     0.11  -0.16   0.03    -0.14   0.19  -0.04
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1189.3328              1200.5127              1205.1791
 Red. masses --      1.6680                 1.3746                 1.6281
 Frc consts  --      1.3901                 1.1673                 1.3932
 IR Inten    --     61.4327                23.5445                 0.5224
 RamAct Fr= 1--      6.1210                72.0814                 1.5571
  Dep-P Fr= 1--      0.4352                 0.2033                 0.7367
  Dep-U Fr= 1--      0.6064                 0.3379                 0.8484
 Alpha2 Fr= 1--      0.0398                 0.9704                 0.0004
 Beta2  Fr= 1--      0.6187                 4.0591                 0.2202
 AlphaG Fr= 1--     -0.0100                -0.0259                 0.0003
 Gamma2 Fr= 1--      0.3097                -6.4131                 1.2224
 Delta2 Fr= 1--      0.0612                -0.7205                -0.4421
 Raman1 Fr= 1--      24.484                288.326                  6.228
 ROA1   Fr= 1--      31.689               -638.715                103.198
 CID1   Fr= 1--       1.294                 -2.215                 16.569
 Raman2 Fr= 1--       7.424                 48.710                  2.642
 ROA2   Fr= 1--       6.942               -148.150                 32.874
 CID2   Fr= 1--       0.935                 -3.041                 12.443
 Raman3 Fr= 1--      14.848                 97.419                  5.284
 ROA3   Fr= 1--      31.689               -638.715                103.198
 CID3   Fr= 1--       2.134                 -6.556                 19.530
 RC180  Fr= 1--       0.213                 -0.324                  0.697
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.04  -0.01    -0.02   0.01  -0.00    -0.06   0.03  -0.00
     2   6    -0.12   0.05  -0.01     0.01   0.01  -0.00    -0.08   0.06  -0.01
     3   6     0.02   0.02  -0.01    -0.00   0.01  -0.00     0.03  -0.03   0.01
     4   6    -0.03   0.01  -0.01    -0.11  -0.04   0.02     0.03   0.05  -0.02
     5   6    -0.02  -0.03   0.01     0.00   0.04  -0.01     0.01  -0.02   0.00
     6   6     0.05  -0.04   0.01     0.01   0.02  -0.01    -0.00  -0.05   0.01
     7   6     0.04  -0.02   0.00     0.03  -0.02   0.00     0.01  -0.04   0.01
     8   1     0.20  -0.05   0.00     0.36  -0.13   0.03     0.14  -0.07   0.01
     9   1    -0.10  -0.09   0.03     0.30   0.27  -0.08     0.18   0.10  -0.04
    10   1     0.52  -0.23   0.02    -0.08   0.06  -0.01    -0.07  -0.03   0.01
    11   6     0.03   0.00   0.00     0.05   0.01  -0.05     0.00  -0.01   0.02
    12   6    -0.01  -0.00  -0.00    -0.01  -0.03   0.02    -0.01   0.01  -0.01
    13   6     0.00  -0.01  -0.01     0.00   0.01   0.05    -0.01   0.01  -0.02
    14   1     0.08   0.03  -0.00     0.35   0.14  -0.10    -0.15  -0.09   0.02
    15   1     0.03   0.01  -0.01     0.01   0.02   0.11     0.02   0.00  -0.06
    16   1    -0.01  -0.00   0.05    -0.01   0.04   0.02    -0.00  -0.02   0.03
    17   1     0.03  -0.00  -0.03     0.02   0.03  -0.08     0.02  -0.02   0.02
    18   8    -0.00  -0.00   0.00    -0.02  -0.01  -0.00     0.01   0.00   0.00
    19   8    -0.00   0.00   0.00     0.02   0.01  -0.01    -0.00  -0.00   0.00
    20   1     0.00  -0.00   0.02     0.03  -0.04  -0.13    -0.01   0.01   0.06
    21   6    -0.02  -0.01   0.00    -0.03  -0.01   0.01    -0.02  -0.03   0.01
    22   6    -0.09   0.01   0.00     0.02  -0.00  -0.00     0.04   0.06  -0.02
    23   6     0.01   0.02  -0.00    -0.01   0.02  -0.00     0.02  -0.02   0.00
    24   8     0.07  -0.05   0.01    -0.03   0.00   0.00     0.04   0.04  -0.01
    25   6    -0.00   0.08  -0.02     0.02  -0.01  -0.00    -0.10  -0.08   0.02
    26   1     0.24  -0.10   0.01     0.46  -0.19   0.02     0.13  -0.09   0.01
    27   1     0.09   0.07  -0.02    -0.32  -0.22   0.08    -0.12  -0.12   0.04
    28   1     0.54  -0.21   0.02    -0.16   0.08  -0.01     0.22  -0.11   0.01
    29   1    -0.13   0.05   0.03    -0.04   0.00   0.01     0.37  -0.08  -0.08
    30   1    -0.13   0.03  -0.04    -0.04   0.00  -0.00     0.38  -0.04   0.06
    31   1     0.15  -0.24   0.05     0.02  -0.02   0.00    -0.37   0.52  -0.10
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1255.1872              1297.6577              1298.0756
 Red. masses --      1.6515                 1.4057                 1.7895
 Frc consts  --      1.5331                 1.3946                 1.7766
 IR Inten    --     79.4132               158.5150                15.9219
 RamAct Fr= 1--     46.5087                14.4289                 2.3489
  Dep-P Fr= 1--      0.2592                 0.7059                 0.1387
  Dep-U Fr= 1--      0.4117                 0.8276                 0.2436
 Alpha2 Fr= 1--      0.5371                 0.0111                 0.0374
 Beta2  Fr= 1--      3.1910                 1.9902                 0.0954
 AlphaG Fr= 1--      0.1592                -0.0037                 0.0013
 Gamma2 Fr= 1--      3.1706                -3.1205                 4.1731
 Delta2 Fr= 1--      0.8454                -2.4261                -0.1211
 Raman1 Fr= 1--     186.035                 57.716                  9.396
 ROA1   Fr= 1--     331.429               -377.202                396.740
 CID1   Fr= 1--       1.782                 -6.536                 42.226
 Raman2 Fr= 1--      38.293                 23.883                  1.144
 ROA2   Fr= 1--      69.332                -55.483                101.123
 CID2   Fr= 1--       1.811                 -2.323                 88.357
 Raman3 Fr= 1--      76.585                 47.765                  2.289
 ROA3   Fr= 1--     331.429               -377.202                396.740
 CID3   Fr= 1--       4.328                 -7.897                173.327
 RC180  Fr= 1--      -0.177                  0.655                 -0.513
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.09  -0.01     0.03  -0.03   0.01    -0.10  -0.11   0.03
     2   6     0.03   0.02  -0.01    -0.02  -0.01   0.00    -0.07  -0.14   0.04
     3   6     0.00  -0.04   0.01     0.00   0.01  -0.00     0.05   0.05  -0.02
     4   6     0.04   0.09  -0.02    -0.04  -0.01   0.00    -0.01   0.02  -0.00
     5   6    -0.02  -0.01   0.00     0.00  -0.01   0.00     0.03   0.00  -0.00
     6   6     0.02  -0.04   0.01    -0.00   0.02  -0.00    -0.01   0.06  -0.01
     7   6    -0.01  -0.05   0.01     0.00   0.00  -0.00    -0.02   0.04  -0.01
     8   1     0.44  -0.21   0.03    -0.01   0.01   0.00     0.54  -0.14   0.01
     9   1    -0.18  -0.13   0.04     0.05   0.03  -0.02     0.06   0.03  -0.01
    10   1    -0.16   0.03   0.00     0.05  -0.01   0.00    -0.39   0.21  -0.03
    11   6     0.06   0.01   0.01     0.01   0.04   0.05    -0.00  -0.01  -0.01
    12   6    -0.03   0.01  -0.01     0.02  -0.05   0.00    -0.00   0.01   0.00
    13   6    -0.02   0.03  -0.00    -0.03   0.06   0.08     0.00  -0.01  -0.00
    14   1    -0.42  -0.24  -0.01    -0.03  -0.24  -0.57     0.03   0.04   0.08
    15   1     0.06   0.03  -0.05    -0.01   0.01   0.14     0.00  -0.01  -0.03
    16   1    -0.02  -0.01   0.09     0.00   0.11  -0.05    -0.00  -0.01  -0.00
    17   1     0.06  -0.02  -0.01    -0.01   0.05  -0.14     0.00   0.00   0.01
    18   8     0.01  -0.01  -0.00     0.04   0.01  -0.03    -0.00  -0.00   0.00
    19   8    -0.00  -0.01  -0.01    -0.01  -0.05  -0.07     0.00   0.01   0.01
    20   1    -0.02   0.04   0.14    -0.13   0.25   0.63     0.02  -0.03  -0.08
    21   6     0.02  -0.02   0.00     0.00   0.01  -0.00     0.05  -0.01  -0.00
    22   6     0.04   0.01  -0.01     0.02   0.01  -0.00     0.02   0.04  -0.01
    23   6     0.03  -0.03   0.01    -0.00   0.01  -0.00     0.05   0.04  -0.01
    24   8    -0.07  -0.00   0.01    -0.01  -0.00   0.00    -0.03  -0.00   0.00
    25   6     0.05   0.00  -0.00     0.01  -0.00  -0.00     0.02  -0.00  -0.00
    26   1     0.18  -0.14   0.02    -0.14   0.06  -0.00    -0.38   0.19  -0.02
    27   1     0.22   0.12  -0.04    -0.07  -0.05   0.02     0.07   0.01  -0.01
    28   1    -0.37   0.14  -0.01     0.12  -0.05   0.00     0.43  -0.12  -0.00
    29   1    -0.14   0.03   0.02    -0.02   0.01   0.00    -0.05   0.01   0.01
    30   1    -0.14   0.02  -0.02    -0.02   0.01  -0.00    -0.05   0.00  -0.00
    31   1     0.12  -0.15   0.03     0.00   0.01  -0.00     0.03  -0.04   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1306.9432              1325.6110              1336.5931
 Red. masses --      2.7635                 2.2360                 1.7766
 Frc consts  --      2.7811                 2.3150                 1.8700
 IR Inten    --    267.8263                 8.6375               143.1484
 RamAct Fr= 1--     16.2451                14.5830                 5.5292
  Dep-P Fr= 1--      0.1347                 0.2639                 0.7498
  Dep-U Fr= 1--      0.2375                 0.4177                 0.8570
 Alpha2 Fr= 1--      0.2610                 0.1662                 0.0000
 Beta2  Fr= 1--      0.6430                 1.0151                 0.7898
 AlphaG Fr= 1--     -0.1005                 0.1852                -0.0043
 Gamma2 Fr= 1--     -1.1487                 0.3869                 4.0800
 Delta2 Fr= 1--     -0.5118                 0.6411                 2.1404
 Raman1 Fr= 1--      64.981                 58.332                 22.117
 ROA1   Fr= 1--    -126.656                 57.656                460.172
 CID1   Fr= 1--      -1.949                  0.988                 20.806
 Raman2 Fr= 1--       7.716                 12.181                  9.477
 ROA2   Fr= 1--     -23.476                  4.156                 80.797
 CID2   Fr= 1--      -3.042                  0.341                  8.525
 Raman3 Fr= 1--      15.433                 24.363                 18.954
 ROA3   Fr= 1--    -126.656                 57.656                460.172
 CID3   Fr= 1--      -8.207                  2.367                 24.278
 RC180  Fr= 1--      -0.525                 -0.165                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03  -0.01     0.14  -0.05   0.00     0.00  -0.00  -0.00
     2   6    -0.11   0.10  -0.02     0.02  -0.01   0.00     0.00  -0.00   0.00
     3   6     0.02  -0.02   0.00    -0.05  -0.03   0.01    -0.01   0.01  -0.01
     4   6     0.01   0.01  -0.00    -0.15   0.02   0.01    -0.00  -0.01   0.02
     5   6    -0.01  -0.04   0.01    -0.00  -0.02   0.00     0.00  -0.00  -0.00
     6   6    -0.01  -0.03   0.01     0.01   0.03  -0.01    -0.00   0.00  -0.00
     7   6    -0.00  -0.09   0.02     0.03   0.00  -0.00    -0.00   0.00  -0.00
     8   1    -0.29   0.10  -0.01     0.07  -0.09   0.03    -0.02   0.02   0.02
     9   1     0.26   0.16  -0.05    -0.01  -0.02   0.01     0.02   0.02   0.02
    10   1     0.34  -0.17   0.02     0.12  -0.01  -0.00     0.04  -0.01   0.00
    11   6    -0.02  -0.01  -0.01     0.21   0.05  -0.03     0.01  -0.08  -0.14
    12   6     0.00   0.01  -0.00    -0.07   0.01   0.00    -0.03   0.06   0.03
    13   6     0.01  -0.01  -0.01    -0.02   0.01  -0.04     0.01   0.04   0.15
    14   1     0.08   0.08   0.10    -0.62  -0.28   0.18    -0.07   0.23   0.71
    15   1    -0.02  -0.01  -0.02     0.19   0.09  -0.09     0.01  -0.03  -0.20
    16   1     0.00  -0.03  -0.00    -0.05   0.00   0.12    -0.02  -0.16   0.00
    17   1    -0.01  -0.01   0.04     0.17  -0.07  -0.02     0.06  -0.04   0.11
    18   8    -0.01  -0.00   0.00    -0.02  -0.02   0.01     0.02   0.01  -0.03
    19   8     0.00   0.01   0.01     0.01   0.01   0.02    -0.01  -0.04  -0.08
    20   1     0.03  -0.05  -0.11     0.04  -0.06  -0.16    -0.09   0.18   0.49
    21   6     0.04   0.02  -0.01    -0.02   0.04  -0.01     0.00   0.00  -0.00
    22   6     0.23   0.11  -0.04    -0.02   0.01  -0.00    -0.00  -0.00   0.00
    23   6     0.03  -0.04   0.01    -0.05  -0.00   0.00    -0.01   0.00  -0.00
    24   8    -0.17  -0.02   0.02     0.02  -0.01   0.00     0.00  -0.00  -0.00
    25   6     0.10  -0.02  -0.00    -0.01   0.01  -0.00    -0.00   0.00   0.00
    26   1    -0.43   0.07   0.01    -0.27   0.14  -0.02     0.02  -0.01   0.00
    27   1    -0.23  -0.18   0.06    -0.28  -0.15   0.05    -0.00  -0.00   0.00
    28   1     0.13  -0.07   0.01     0.12  -0.08   0.01     0.02  -0.01   0.00
    29   1    -0.28   0.06   0.03     0.01  -0.00   0.00     0.00   0.00  -0.00
    30   1    -0.29   0.05  -0.01     0.01  -0.00  -0.00     0.01   0.00   0.00
    31   1     0.09  -0.04   0.00    -0.02   0.03  -0.01    -0.00   0.01  -0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1386.4146              1403.8475              1410.3404
 Red. masses --      2.4101                 2.8030                 3.8580
 Frc consts  --      2.7294                 3.2548                 4.5213
 IR Inten    --     15.8258                 8.0542                 2.0159
 RamAct Fr= 1--     46.0847                41.7013               553.9680
  Dep-P Fr= 1--      0.1817                 0.1882                 0.2085
  Dep-U Fr= 1--      0.3075                 0.3168                 0.3450
 Alpha2 Fr= 1--      0.6567                 0.5842                 7.3553
 Beta2  Fr= 1--      2.3616                 2.2019                31.8543
 AlphaG Fr= 1--     -0.1086                -0.0170                -0.0824
 Gamma2 Fr= 1--     -0.5106                -0.4077                 2.0615
 Delta2 Fr= 1--     -0.7106                 1.5093                 1.7383
 Raman1 Fr= 1--     184.339                166.805               2215.872
 ROA1   Fr= 1--     -71.755                  9.153                253.530
 CID1   Fr= 1--      -0.389                  0.055                  0.114
 Raman2 Fr= 1--      28.340                 26.423                382.252
 ROA2   Fr= 1--      -6.570                -21.860                 35.570
 CID2   Fr= 1--      -0.232                 -0.827                  0.093
 Raman3 Fr= 1--      56.679                 52.847                764.504
 ROA3   Fr= 1--     -71.755                  9.153                253.530
 CID3   Fr= 1--      -1.266                  0.173                  0.332
 RC180  Fr= 1--      -0.385                 -0.366                 -0.310
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.10  -0.03    -0.07  -0.08   0.02    -0.05  -0.23   0.06
     2   6     0.05  -0.04   0.01    -0.05   0.02  -0.00     0.11   0.25  -0.07
     3   6    -0.06  -0.07   0.02     0.16  -0.06   0.00     0.05  -0.04   0.01
     4   6    -0.02   0.10  -0.02    -0.08   0.07  -0.01    -0.04   0.17  -0.04
     5   6    -0.02   0.04  -0.01    -0.15  -0.09   0.03    -0.06  -0.03   0.01
     6   6     0.10  -0.04   0.00     0.11   0.05  -0.02     0.10  -0.09   0.02
     7   6     0.12  -0.06   0.01     0.11   0.06  -0.02    -0.07   0.03  -0.00
     8   1    -0.02  -0.09   0.02    -0.36   0.14  -0.01     0.36  -0.17   0.03
     9   1    -0.36  -0.21   0.07     0.34   0.29  -0.09    -0.23  -0.15   0.05
    10   1    -0.47   0.19  -0.02     0.02   0.10  -0.03     0.03  -0.06   0.01
    11   6    -0.04  -0.04   0.00     0.03   0.01  -0.01    -0.03  -0.04   0.01
    12   6     0.01   0.00   0.00    -0.01   0.00   0.02    -0.01  -0.00   0.06
    13   6     0.01  -0.00   0.02    -0.00   0.00   0.00     0.01  -0.00   0.01
    14   1     0.38   0.16  -0.04     0.02   0.00   0.00     0.38   0.15  -0.07
    15   1    -0.05  -0.03   0.01     0.04   0.00  -0.04     0.06  -0.09  -0.19
    16   1     0.01  -0.03  -0.02    -0.01  -0.02  -0.07    -0.03  -0.03  -0.27
    17   1    -0.02   0.01  -0.00     0.08   0.01  -0.05     0.11   0.12  -0.21
    18   8     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    19   8    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1    -0.01   0.01   0.03     0.01  -0.00   0.02    -0.00   0.00   0.00
    21   6    -0.06  -0.02   0.01    -0.12  -0.05   0.02     0.10   0.08  -0.03
    22   6    -0.08   0.18  -0.04    -0.06   0.02  -0.00     0.02  -0.10   0.02
    23   6    -0.02  -0.10   0.02     0.15  -0.06   0.00    -0.14   0.02   0.00
    24   8     0.02  -0.03   0.01     0.00   0.02  -0.00     0.02  -0.00  -0.00
    25   6     0.01   0.03  -0.01    -0.02   0.01  -0.00    -0.01  -0.01   0.00
    26   1    -0.26   0.10  -0.01    -0.17   0.19  -0.03    -0.26   0.10  -0.01
    27   1    -0.30  -0.19   0.07     0.25   0.23  -0.07    -0.16  -0.11   0.04
    28   1     0.09  -0.16   0.03    -0.42   0.18  -0.02    -0.10   0.01   0.01
    29   1    -0.01  -0.02   0.04     0.10  -0.02   0.00    -0.02   0.01  -0.01
    30   1    -0.01  -0.03  -0.03     0.10  -0.03  -0.01    -0.02   0.01   0.01
    31   1     0.06  -0.08   0.02     0.07  -0.15   0.03    -0.05   0.09  -0.02
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1415.3104              1456.4067              1480.1876
 Red. masses --      1.2770                 3.5667                 1.2097
 Frc consts  --      1.5071                 4.4574                 1.5616
 IR Inten    --     11.2387                 1.5386                 8.5230
 RamAct Fr= 1--     32.0603               186.2370                 5.9090
  Dep-P Fr= 1--      0.1702                 0.2510                 0.5325
  Dep-U Fr= 1--      0.2909                 0.4013                 0.6949
 Alpha2 Fr= 1--      0.4707                 2.2008                 0.0249
 Beta2  Fr= 1--      1.5542                12.4573                 0.6844
 AlphaG Fr= 1--     -0.1296                -0.5067                -0.0023
 Gamma2 Fr= 1--     -1.3881                -1.6465                -0.6165
 Delta2 Fr= 1--      0.4258                 0.6155                 0.0085
 Raman1 Fr= 1--     128.241                744.948                 23.636
 ROA1   Fr= 1--    -119.630               -138.364                -58.916
 CID1   Fr= 1--      -0.933                 -0.186                 -2.493
 Raman2 Fr= 1--      18.650                149.488                  8.213
 ROA2   Fr= 1--     -36.721                -44.440                -14.864
 CID2   Fr= 1--      -1.969                 -0.297                 -1.810
 Raman3 Fr= 1--      37.300                298.976                 16.425
 ROA3   Fr= 1--    -119.630               -138.364                -58.916
 CID3   Fr= 1--      -3.207                 -0.463                 -3.587
 RC180  Fr= 1--      -0.418                 -0.197                  0.390
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04   0.01    -0.16   0.01   0.01     0.02  -0.00  -0.00
     2   6     0.02   0.03  -0.01     0.18  -0.00  -0.01    -0.01  -0.01   0.00
     3   6     0.01  -0.01   0.00     0.13   0.03  -0.02     0.01  -0.02   0.00
     4   6    -0.02   0.02  -0.00     0.02  -0.17   0.04    -0.03   0.01  -0.00
     5   6    -0.02  -0.01   0.00    -0.14   0.05  -0.00    -0.00   0.01  -0.00
     6   6     0.02  -0.00  -0.00     0.13  -0.00  -0.01     0.03  -0.01  -0.00
     7   6    -0.00   0.01  -0.00    -0.11   0.00   0.01     0.01   0.03  -0.01
     8   1     0.06  -0.03  -0.00    -0.41   0.26  -0.04    -0.06   0.01   0.00
     9   1     0.01   0.01  -0.01     0.08   0.23  -0.06    -0.06  -0.03   0.01
    10   1     0.02  -0.00  -0.00    -0.20   0.15  -0.02    -0.08   0.04  -0.00
    11   6     0.01  -0.01  -0.01     0.03   0.05  -0.01     0.00  -0.00  -0.00
    12   6     0.04   0.01  -0.13    -0.01  -0.00   0.00    -0.00   0.00  -0.00
    13   6    -0.01   0.00   0.02    -0.00  -0.00  -0.01     0.00   0.00   0.00
    14   1     0.03   0.02   0.03    -0.33  -0.12   0.04     0.03   0.01  -0.01
    15   1    -0.24   0.13   0.44     0.08   0.04   0.00     0.02   0.03   0.04
    16   1     0.08   0.00   0.59    -0.02   0.05  -0.04    -0.00  -0.01  -0.02
    17   1    -0.29  -0.23   0.45     0.04  -0.02   0.00     0.04  -0.03   0.02
    18   8     0.01   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   8     0.00  -0.00  -0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
    20   1    -0.01   0.01   0.03     0.01  -0.01  -0.01     0.00   0.00  -0.00
    21   6     0.01   0.01  -0.00     0.13  -0.05   0.00    -0.05  -0.03   0.01
    22   6    -0.00  -0.01   0.00    -0.04   0.16  -0.04    -0.01  -0.01   0.00
    23   6    -0.02  -0.00   0.00    -0.14  -0.03   0.02    -0.01   0.01  -0.00
    24   8     0.01  -0.00  -0.00     0.02  -0.04   0.01     0.03  -0.01   0.00
    25   6    -0.00   0.00  -0.00     0.01   0.02  -0.00     0.07  -0.07   0.01
    26   1    -0.06   0.03  -0.00     0.18  -0.13   0.02     0.10  -0.00  -0.01
    27   1    -0.03  -0.02   0.01    -0.06  -0.20   0.05     0.16   0.12  -0.04
    28   1    -0.03   0.00   0.00     0.31  -0.24   0.04     0.04  -0.01   0.00
    29   1     0.01  -0.00   0.00    -0.06  -0.02   0.05    -0.43   0.25  -0.21
    30   1     0.01  -0.00  -0.00    -0.07  -0.04  -0.03    -0.41   0.33   0.12
    31   1    -0.00   0.00  -0.00     0.01   0.03  -0.01    -0.21   0.51  -0.11
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1492.1896              1496.3523              1496.4379
 Red. masses --      1.0470                 1.0466                 1.0582
 Frc consts  --      1.3736                 1.3807                 1.3962
 IR Inten    --      8.9871                 8.8947                 5.7811
 RamAct Fr= 1--      5.6121                10.1700                 3.7110
  Dep-P Fr= 1--      0.6982                 0.7499                 0.7222
  Dep-U Fr= 1--      0.8223                 0.8571                 0.8387
 Alpha2 Fr= 1--      0.0051                 0.0000                 0.0018
 Beta2  Fr= 1--      0.7691                 1.4527                 0.5187
 AlphaG Fr= 1--     -0.0120                -0.0026                 0.0405
 Gamma2 Fr= 1--      0.5218                -0.6175                 1.2084
 Delta2 Fr= 1--     -0.7492                 0.3883                 1.2444
 Raman1 Fr= 1--      22.449                 40.680                 14.844
 ROA1   Fr= 1--      26.119                -46.859                155.832
 CID1   Fr= 1--       1.163                 -1.152                 10.498
 Raman2 Fr= 1--       9.230                 17.432                  6.225
 ROA2   Fr= 1--      18.516                -17.927                 19.047
 CID2   Fr= 1--       2.006                 -1.028                  3.060
 Raman3 Fr= 1--      18.459                 34.865                 12.450
 ROA3   Fr= 1--      26.119                -46.859                155.832
 CID3   Fr= 1--       1.415                 -1.344                 12.517
 RC180  Fr= 1--       0.645                  0.714                  0.677
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2   6    -0.01   0.00   0.00    -0.00   0.00   0.00    -0.01   0.01  -0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     5   6     0.01   0.01  -0.00     0.00   0.00  -0.00     0.01   0.01  -0.00
     6   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.01   0.00
     7   6    -0.01  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     8   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.02   0.01   0.01
     9   1    -0.02  -0.02   0.01    -0.00  -0.00   0.00    -0.04  -0.03   0.01
    10   1    -0.02   0.00   0.00    -0.00   0.00   0.00    -0.03   0.00   0.00
    11   6    -0.02   0.01   0.00    -0.00  -0.00  -0.00    -0.02  -0.02  -0.01
    12   6    -0.04   0.03  -0.02    -0.00  -0.00  -0.00    -0.03  -0.04  -0.01
    13   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    14   1     0.03   0.01  -0.06     0.00   0.00   0.00     0.04   0.03   0.04
    15   1     0.01   0.24   0.43     0.05   0.02   0.00     0.59   0.29   0.04
    16   1    -0.02  -0.41  -0.30    -0.01   0.05  -0.02    -0.08   0.57  -0.22
    17   1     0.60  -0.32   0.12    -0.01  -0.02   0.03    -0.08  -0.22   0.33
    18   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.01   0.00  -0.00
    19   8     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    21   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    22   6     0.01  -0.00   0.00     0.00  -0.00  -0.00     0.01  -0.00   0.00
    23   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    24   8    -0.00   0.00  -0.00    -0.00  -0.00  -0.01    -0.00   0.00   0.00
    25   6    -0.01   0.00  -0.00    -0.00  -0.01  -0.06    -0.00   0.00   0.00
    26   1     0.01  -0.01   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    27   1     0.00   0.00  -0.00    -0.00  -0.01  -0.02     0.01   0.01  -0.00
    28   1     0.01   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.00
    29   1     0.03  -0.02   0.01    -0.47  -0.03   0.11     0.06  -0.00  -0.01
    30   1     0.03  -0.02  -0.01     0.48   0.05   0.03    -0.02  -0.01  -0.00
    31   1     0.02  -0.04   0.01     0.05   0.17   0.70     0.01  -0.04  -0.05
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1506.5567              1525.5232              1546.8706
 Red. masses --      1.0584                 2.3935                 3.5087
 Frc consts  --      1.4154                 3.2819                 4.9465
 IR Inten    --     49.8362                34.1874                75.4727
 RamAct Fr= 1--     12.9867               123.4801                 6.0614
  Dep-P Fr= 1--      0.4767                 0.2461                 0.1950
  Dep-U Fr= 1--      0.6456                 0.3950                 0.3264
 Alpha2 Fr= 1--      0.0712                 1.4794                 0.0834
 Beta2  Fr= 1--      1.3974                 8.1295                 0.3297
 AlphaG Fr= 1--     -0.0116                -0.2288                 0.0997
 Gamma2 Fr= 1--     -0.0266                -0.8038                -0.1200
 Delta2 Fr= 1--      0.0682                 0.7261                -0.1794
 Raman1 Fr= 1--      51.947                493.920                 24.246
 ROA1   Fr= 1--      -0.372                -53.933                -17.260
 CID1   Fr= 1--      -0.007                 -0.109                 -0.712
 Raman2 Fr= 1--      16.769                 97.554                  3.957
 ROA2   Fr= 1--      -1.185                -25.101                 -1.444
 CID2   Fr= 1--      -0.071                 -0.257                 -0.365
 Raman3 Fr= 1--      33.537                195.109                  7.913
 ROA3   Fr= 1--      -0.372                -53.933                -17.260
 CID3   Fr= 1--      -0.011                 -0.276                 -2.181
 RC180  Fr= 1--       0.291                 -0.210                 -0.347
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.08  -0.02  -0.00     0.14  -0.05   0.00
     2   6     0.00   0.00  -0.00    -0.12   0.03  -0.00     0.13  -0.07   0.01
     3   6     0.00  -0.00   0.00     0.07  -0.04   0.01    -0.05  -0.06   0.02
     4   6    -0.01  -0.01   0.00    -0.13  -0.02   0.01     0.02   0.17  -0.04
     5   6     0.00   0.01  -0.00     0.06   0.10  -0.03    -0.05  -0.13   0.03
     6   6     0.01  -0.01   0.00     0.11  -0.08   0.01    -0.09   0.10  -0.02
     7   6    -0.01  -0.00   0.00    -0.08   0.06  -0.01    -0.13   0.12  -0.02
     8   1    -0.02   0.01  -0.00    -0.26   0.08  -0.00     0.13  -0.14   0.03
     9   1    -0.03  -0.01   0.00    -0.37  -0.21   0.07     0.26   0.09  -0.04
    10   1    -0.03   0.01  -0.00    -0.40   0.11  -0.00     0.34  -0.07  -0.00
    11   6     0.00   0.00  -0.00     0.04   0.01  -0.01    -0.02  -0.03   0.01
    12   6     0.00   0.00   0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    13   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    14   1    -0.01  -0.00   0.00     0.01  -0.00   0.00     0.17   0.06  -0.02
    15   1    -0.02  -0.01  -0.01    -0.09  -0.06  -0.03     0.03   0.01   0.00
    16   1     0.00  -0.01   0.01     0.02  -0.03   0.09    -0.00   0.02  -0.02
    17   1    -0.01   0.01  -0.01    -0.06   0.05  -0.04    -0.00  -0.02   0.02
    18   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    19   8     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    20   1     0.00  -0.00  -0.00     0.00   0.00  -0.01    -0.00   0.01  -0.00
    21   6     0.00  -0.00   0.00    -0.05  -0.06   0.02    -0.05  -0.15   0.04
    22   6     0.02   0.01  -0.00     0.14  -0.02  -0.00     0.08   0.16  -0.04
    23   6    -0.01   0.00   0.00    -0.03   0.05  -0.01    -0.10  -0.03   0.01
    24   8    -0.02  -0.01   0.00    -0.05   0.01   0.00    -0.03  -0.02   0.01
    25   6    -0.04  -0.04   0.01    -0.02   0.02  -0.00    -0.01   0.02  -0.00
    26   1     0.01  -0.01   0.00     0.30  -0.09   0.00     0.45  -0.11  -0.00
    27   1    -0.01  -0.01   0.00     0.32   0.20  -0.07     0.38   0.15  -0.06
    28   1     0.04  -0.02   0.00     0.17  -0.02  -0.01     0.24  -0.18   0.03
    29   1     0.20   0.37  -0.48     0.12  -0.15   0.15     0.06  -0.05   0.05
    30   1     0.26   0.55   0.23     0.11  -0.21  -0.08     0.06  -0.07  -0.03
    31   1     0.14  -0.36   0.08     0.05  -0.13   0.03     0.06  -0.12   0.02
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1607.0611              1651.6738              1675.6847
 Red. masses --      6.7904                 5.6376                 6.2950
 Frc consts  --     10.3326                 9.0614                10.4143
 IR Inten    --      4.9758                84.6562                86.1766
 RamAct Fr= 1--     74.9329                17.0261               372.8581
  Dep-P Fr= 1--      0.5965                 0.6313                 0.3703
  Dep-U Fr= 1--      0.7473                 0.7740                 0.5405
 Alpha2 Fr= 1--      0.2134                 0.0367                 3.0613
 Beta2  Fr= 1--      9.3326                 2.1964                33.5856
 AlphaG Fr= 1--      0.1929                -0.0164                -0.1824
 Gamma2 Fr= 1--     -1.6500                 0.1826                 2.6362
 Delta2 Fr= 1--      0.6012                -1.8721                 0.1875
 Raman1 Fr= 1--     299.732                 68.104               1491.433
 ROA1   Fr= 1--    -139.166                -42.378                259.070
 CID1   Fr= 1--      -0.464                 -0.622                  0.174
 Raman2 Fr= 1--     111.991                 26.357                403.027
 ROA2   Fr= 1--     -44.411                 19.360                 61.768
 CID2   Fr= 1--      -0.397                  0.735                  0.153
 Raman3 Fr= 1--     223.983                 52.713                806.055
 ROA3   Fr= 1--    -139.166                -42.378                259.070
 CID3   Fr= 1--      -0.621                 -0.804                  0.321
 RC180  Fr= 1--       0.495                  0.548                  0.081
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.27  -0.07    -0.05  -0.02   0.01    -0.25   0.09  -0.01
     2   6    -0.09  -0.26   0.07     0.00   0.00  -0.00     0.24  -0.08   0.00
     3   6     0.10  -0.17   0.03     0.22  -0.12   0.02     0.20  -0.09   0.01
     4   6    -0.04   0.22  -0.05    -0.20   0.10  -0.01    -0.12   0.07  -0.01
     5   6    -0.17  -0.14   0.05     0.24   0.06  -0.03     0.15   0.03  -0.02
     6   6     0.13   0.08  -0.03    -0.24   0.02   0.01    -0.21   0.05   0.00
     7   6    -0.15  -0.09   0.03    -0.19   0.02   0.01     0.25  -0.07   0.00
     8   1    -0.34   0.01   0.02    -0.35   0.09   0.00    -0.32   0.11  -0.01
     9   1     0.18   0.13  -0.04    -0.21  -0.30   0.09    -0.09  -0.16   0.04
    10   1    -0.12   0.19  -0.04     0.18  -0.17   0.03     0.24  -0.14   0.02
    11   6    -0.00  -0.02   0.00     0.02  -0.02  -0.00     0.01  -0.01   0.00
    12   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    13   6     0.00   0.00   0.00    -0.00   0.00   0.01     0.00   0.00   0.00
    14   1     0.17   0.06  -0.02     0.11   0.03  -0.01     0.07   0.02  -0.01
    15   1     0.01  -0.00  -0.02    -0.02  -0.01  -0.00    -0.00  -0.00  -0.00
    16   1    -0.00   0.02   0.00     0.01  -0.00   0.03     0.00   0.01   0.01
    17   1    -0.02   0.00   0.00    -0.02   0.00   0.00    -0.01  -0.00   0.01
    18   8    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    19   8    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    20   1    -0.00   0.00   0.00     0.00   0.00  -0.02     0.01  -0.00  -0.02
    21   6     0.21   0.16  -0.05     0.20   0.02  -0.02    -0.18  -0.01   0.01
    22   6     0.00  -0.24   0.06    -0.19   0.13  -0.02     0.15  -0.11   0.02
    23   6    -0.05   0.16  -0.04     0.19  -0.13   0.02    -0.23   0.11  -0.01
    24   8     0.01   0.02  -0.00     0.02  -0.02   0.00    -0.01   0.01  -0.00
    25   6    -0.01  -0.01   0.00     0.02  -0.00   0.00    -0.02   0.01  -0.00
    26   1     0.09  -0.20   0.04     0.15  -0.13   0.02    -0.30   0.16  -0.02
    27   1    -0.27  -0.18   0.06    -0.17  -0.25   0.07     0.09   0.20  -0.05
    28   1     0.23   0.05  -0.03    -0.28   0.06   0.00     0.31  -0.11   0.01
    29   1     0.01   0.00  -0.02    -0.06   0.05  -0.04     0.05  -0.04   0.04
    30   1     0.01   0.01   0.01    -0.05   0.06   0.02     0.05  -0.05  -0.02
    31   1    -0.03   0.03  -0.01     0.01   0.03  -0.01    -0.01  -0.02   0.01
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1835.6012              3011.2051              3013.1942
 Red. masses --     10.4357                 1.0347                 1.0813
 Frc consts  --     20.7172                 5.5275                 5.7843
 IR Inten    --    403.0044                66.4052                 9.6799
 RamAct Fr= 1--     31.3732               266.7115                99.7338
  Dep-P Fr= 1--      0.3309                 0.0480                 0.1314
  Dep-U Fr= 1--      0.4973                 0.0916                 0.2323
 Alpha2 Fr= 1--      0.2927                 5.2932                 1.6156
 Beta2  Fr= 1--      2.6002                 4.0738                 3.8615
 AlphaG Fr= 1--     -1.1775                 0.0873                -0.5249
 Gamma2 Fr= 1--     -4.7908                -0.0530                -2.7331
 Delta2 Fr= 1--      0.5127                 0.0441                -2.6785
 Raman1 Fr= 1--     125.493               1066.846                398.935
 ROA1   Fr= 1--    -443.508                 -3.676               -348.089
 CID1   Fr= 1--      -3.534                 -0.003                 -0.873
 Raman2 Fr= 1--      31.203                 48.885                 46.338
 ROA2   Fr= 1--    -119.080                 -1.624                -44.165
 CID2   Fr= 1--      -3.816                 -0.033                 -0.953
 Raman3 Fr= 1--      62.406                 97.771                 92.675
 ROA3   Fr= 1--    -443.508                 -3.676               -348.089
 CID3   Fr= 1--      -7.107                 -0.038                 -3.756
 RC180  Fr= 1--      -0.005                 -0.817                 -0.535
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00   0.01  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     4   6    -0.01  -0.02   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   1    -0.00   0.00  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
     9   1    -0.01  -0.00  -0.00     0.00  -0.00   0.00     0.01  -0.01   0.00
    10   1    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    11   6    -0.03  -0.03  -0.00    -0.00   0.00  -0.00     0.04  -0.07   0.03
    12   6     0.01   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.01  -0.00
    13   6     0.59   0.42  -0.17     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   1    -0.02  -0.02  -0.04     0.01  -0.03   0.01    -0.42   0.83  -0.34
    15   1     0.01   0.03   0.03    -0.00   0.00  -0.00     0.04  -0.08   0.03
    16   1     0.02   0.05   0.03     0.00  -0.00   0.00     0.01   0.00   0.00
    17   1    -0.06  -0.03   0.10     0.00  -0.00  -0.00    -0.01  -0.02  -0.01
    18   8    -0.37  -0.26   0.12    -0.00  -0.00   0.00     0.00   0.00  -0.00
    19   8    -0.04  -0.04  -0.02     0.00   0.00  -0.00     0.00   0.00  -0.00
    20   1    -0.07   0.16   0.41    -0.00  -0.00   0.00     0.00  -0.00   0.00
    21   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    22   6    -0.01   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    24   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    25   6    -0.00   0.00  -0.00    -0.01   0.05  -0.01    -0.00   0.00  -0.00
    26   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    27   1    -0.00  -0.00   0.00    -0.01   0.02  -0.00    -0.00   0.00  -0.00
    28   1    -0.01   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    29   1     0.00  -0.00   0.00    -0.11  -0.49  -0.45    -0.00  -0.02  -0.01
    30   1    -0.00  -0.00  -0.00    -0.04  -0.23   0.63    -0.00  -0.01   0.02
    31   1    -0.00   0.00   0.00     0.27   0.12  -0.05     0.01   0.00  -0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3050.3384              3068.4082              3114.0082
 Red. masses --      1.0348                 1.1060                 1.1027
 Frc consts  --      5.6729                 6.1353                 6.3002
 IR Inten    --     16.5044                34.2676                15.7118
 RamAct Fr= 1--    186.1422                84.5494                34.0763
  Dep-P Fr= 1--      0.0301                 0.7500                 0.6543
  Dep-U Fr= 1--      0.0585                 0.8571                 0.7910
 Alpha2 Fr= 1--      3.8541                 0.0000                 0.0584
 Beta2  Fr= 1--      1.8152                12.0783                 4.4925
 AlphaG Fr= 1--     -0.6695                 0.0258                 0.0165
 Gamma2 Fr= 1--      0.3781                 0.4085                -5.9599
 Delta2 Fr= 1--      4.0529                 0.7831                -2.0386
 Raman1 Fr= 1--     744.569                338.198                136.305
 ROA1   Fr= 1--     165.991                 64.272               -637.385
 CID1   Fr= 1--       0.223                  0.190                 -4.676
 Raman2 Fr= 1--      21.782                144.939                 53.910
 ROA2   Fr= 1--     -23.349                  3.538               -126.728
 CID2   Fr= 1--      -1.072                  0.024                 -2.351
 Raman3 Fr= 1--      43.564                289.879                107.820
 ROA3   Fr= 1--     165.991                 64.272               -637.385
 CID3   Fr= 1--       3.810                  0.222                 -5.912
 RC180  Fr= 1--      -0.883                  0.714                  0.582
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     7   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   1    -0.00  -0.01   0.00     0.00  -0.00  -0.00    -0.01  -0.03   0.01
     9   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.01  -0.01   0.00
    10   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    12   6    -0.00  -0.00   0.05     0.00   0.00  -0.00     0.01  -0.09  -0.01
    13   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    14   1    -0.02   0.03  -0.01     0.00  -0.00   0.00    -0.03   0.07  -0.03
    15   1    -0.25   0.52  -0.23     0.00  -0.00   0.00    -0.30   0.59  -0.28
    16   1     0.47   0.03  -0.03    -0.00  -0.00   0.00    -0.03  -0.02   0.00
    17   1    -0.20  -0.50  -0.32     0.00   0.00   0.00     0.23   0.54   0.36
    18   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    19   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    20   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    22   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    23   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    24   8    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    25   6     0.00  -0.00  -0.00    -0.01  -0.02  -0.09     0.00   0.00  -0.00
    26   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    27   1     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    28   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    29   1     0.00   0.00   0.00     0.13   0.52   0.45     0.00   0.00   0.00
    30   1     0.00   0.00  -0.00    -0.06  -0.25   0.65    -0.00  -0.00   0.00
    31   1    -0.00  -0.00   0.00    -0.00  -0.01  -0.02    -0.00  -0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3132.7215              3137.5546              3155.9987
 Red. masses --      1.1021                 1.0990                 1.0898
 Frc consts  --      6.3725                 6.3745                 6.3954
 IR Inten    --     17.8231                22.9914                 6.2709
 RamAct Fr= 1--    175.5437               182.8290                43.9194
  Dep-P Fr= 1--      0.4781                 0.4326                 0.2792
  Dep-U Fr= 1--      0.6469                 0.6039                 0.4365
 Alpha2 Fr= 1--      0.9569                 1.2002                 0.4789
 Beta2  Fr= 1--     18.9264                18.4027                 3.1953
 AlphaG Fr= 1--      0.7576                -0.0647                -0.2614
 Gamma2 Fr= 1--      5.9616                -0.1118                 0.9530
 Delta2 Fr= 1--     -0.1043                -0.2659                 1.0704
 Raman1 Fr= 1--     702.175                731.316                175.678
 ROA1   Fr= 1--     568.977                -19.243                125.745
 CID1   Fr= 1--       0.810                 -0.026                  0.716
 Raman2 Fr= 1--     227.116                220.832                 38.344
 ROA2   Fr= 1--     143.913                 -0.556                 14.309
 CID2   Fr= 1--       0.634                 -0.003                  0.373
 Raman3 Fr= 1--     454.233                441.665                 76.687
 ROA3   Fr= 1--     568.977                -19.243                125.745
 CID3   Fr= 1--       1.253                 -0.044                  1.640
 RC180  Fr= 1--       0.294                  0.208                 -0.127
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     2   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.03  -0.08   0.02
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.01  -0.00
     8   1     0.01   0.01  -0.00     0.00   0.00  -0.00     0.36   0.89  -0.24
     9   1    -0.01   0.01  -0.00     0.00  -0.00   0.00    -0.02   0.02  -0.00
    10   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01   0.02  -0.01
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6    -0.09  -0.01  -0.02     0.00  -0.00   0.00     0.00  -0.00   0.00
    13   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    14   1     0.01  -0.03   0.01    -0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1     0.10  -0.25   0.11    -0.00   0.00  -0.00    -0.01   0.03  -0.01
    16   1     0.88   0.06  -0.07    -0.01  -0.00   0.00    -0.01  -0.00   0.00
    17   1     0.10   0.29   0.18    -0.00  -0.00  -0.00     0.00   0.01   0.01
    18   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    19   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    20   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    21   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    22   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    23   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    24   8    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    25   6    -0.00  -0.00   0.00    -0.08  -0.05   0.02     0.00  -0.00   0.00
    26   1    -0.00  -0.00   0.00     0.00   0.01  -0.00    -0.04  -0.08   0.02
    27   1     0.00  -0.00   0.00     0.02  -0.02   0.00    -0.01   0.01  -0.00
    28   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    29   1     0.00   0.00   0.00     0.02   0.13   0.14     0.00   0.00   0.00
    30   1     0.00   0.00  -0.00     0.00   0.05  -0.18     0.00   0.00  -0.00
    31   1     0.01   0.00  -0.00     0.87   0.38  -0.15    -0.00  -0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3162.7325              3174.0610              3181.3778
 Red. masses --      1.0866                 1.0892                 1.0944
 Frc consts  --      6.4037                 6.4650                 6.5261
 IR Inten    --      5.1240                 7.3930                12.8746
 RamAct Fr= 1--     84.3478                68.5878               137.1810
  Dep-P Fr= 1--      0.5888                 0.4156                 0.1878
  Dep-U Fr= 1--      0.7412                 0.5872                 0.3162
 Alpha2 Fr= 1--      0.2535                 0.4800                 1.9238
 Beta2  Fr= 1--     10.4198                 6.7127                 7.2300
 AlphaG Fr= 1--      0.1498                 0.0120                 0.1783
 Gamma2 Fr= 1--      1.8177                 0.5141                 0.1107
 Delta2 Fr= 1--      0.6360                 0.1257                -0.3770
 Raman1 Fr= 1--     337.391                274.351                548.724
 ROA1   Fr= 1--     194.848                 53.381                 -1.438
 CID1   Fr= 1--       0.578                  0.195                 -0.003
 Raman2 Fr= 1--     125.037                 80.552                 86.760
 ROA2   Fr= 1--      38.537                 11.333                  5.672
 CID2   Fr= 1--       0.308                  0.141                  0.065
 Raman3 Fr= 1--     250.075                161.104                173.521
 ROA3   Fr= 1--     194.848                 53.381                 -1.438
 CID3   Fr= 1--       0.779                  0.331                 -0.008
 RC180  Fr= 1--       0.482                  0.174                 -0.368
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.00  -0.01   0.00     0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6     0.04  -0.06   0.01     0.00  -0.00   0.00     0.03  -0.04   0.01
     6   6     0.02   0.04  -0.01    -0.00  -0.00   0.00    -0.03  -0.06   0.02
     7   6     0.00   0.00  -0.00    -0.03  -0.08   0.02    -0.00  -0.00   0.00
     8   1    -0.00  -0.01   0.00     0.04   0.08  -0.02    -0.01  -0.03   0.01
     9   1    -0.51   0.65  -0.13    -0.00   0.01  -0.00    -0.33   0.41  -0.08
    10   1    -0.20  -0.49   0.13     0.00   0.01  -0.00     0.30   0.73  -0.20
    11   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    13   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   1    -0.01   0.01  -0.01     0.00   0.00  -0.00    -0.00   0.01  -0.00
    15   1    -0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    16   1    -0.01  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    18   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   8     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    20   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    21   6     0.00  -0.00   0.00    -0.01   0.01  -0.00     0.00  -0.00   0.00
    22   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    23   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01   0.02  -0.00
    24   8     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    25   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    26   1    -0.00  -0.00   0.00     0.36   0.87  -0.23     0.00   0.00  -0.00
    27   1    -0.00   0.00  -0.00     0.11  -0.15   0.03    -0.00   0.00  -0.00
    28   1     0.01   0.03  -0.01     0.02   0.05  -0.01    -0.08  -0.18   0.05
    29   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    30   1    -0.00  -0.00   0.00    -0.00  -0.00   0.01     0.00  -0.00   0.00
    31   1    -0.00  -0.00   0.00    -0.01  -0.01   0.00     0.00   0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3188.4167              3216.8358              3716.2858
 Red. masses --      1.0904                 1.0912                 1.0650
 Frc consts  --      6.5312                 6.6528                 8.6661
 IR Inten    --      6.2467                 6.3038               131.3129
 RamAct Fr= 1--    168.8862               136.5950               202.5699
  Dep-P Fr= 1--      0.2317                 0.2272                 0.2173
  Dep-U Fr= 1--      0.3762                 0.3703                 0.3571
 Alpha2 Fr= 1--      2.1060                 1.7239                 2.6263
 Beta2  Fr= 1--     10.5883                 8.4310                12.0549
 AlphaG Fr= 1--     -0.0064                -0.0052                -3.3183
 Gamma2 Fr= 1--     -0.3395                -0.3004               -41.5225
 Delta2 Fr= 1--     -0.1770                 0.3745                 1.7017
 Raman1 Fr= 1--     675.545                546.380                810.280
 ROA1   Fr= 1--     -38.254                -16.850              -3931.711
 CID1   Fr= 1--      -0.057                 -0.031                 -4.852
 Raman2 Fr= 1--     127.059                101.173                144.659
 ROA2   Fr= 1--      -6.731                -10.205              -1010.154
 CID2   Fr= 1--      -0.053                 -0.101                 -6.983
 Raman3 Fr= 1--     254.119                202.345                289.317
 ROA3   Fr= 1--     -38.254                -16.850              -3931.711
 CID3   Fr= 1--      -0.151                 -0.083                -13.590
 RC180  Fr= 1--      -0.248                 -0.259                 -0.286
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00  -0.01   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6    -0.01  -0.01   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6     0.00   0.00  -0.00    -0.01  -0.02   0.00    -0.00   0.00  -0.00
     8   1    -0.01  -0.01   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     9   1    -0.05   0.06  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    10   1     0.07   0.17  -0.04    -0.00  -0.00   0.00     0.00   0.00  -0.00
    11   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    12   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    14   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    15   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    16   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    17   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    18   8    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    19   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.05  -0.03   0.01
    20   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.84   0.54  -0.09
    21   6     0.00   0.00  -0.00     0.05  -0.07   0.01     0.00   0.00  -0.00
    22   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    23   6    -0.03  -0.08   0.02    -0.00  -0.00   0.00     0.00  -0.00   0.00
    24   8     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    25   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    26   1    -0.02  -0.05   0.01     0.07   0.17  -0.04    -0.00  -0.00   0.00
    27   1    -0.00   0.00  -0.00    -0.59   0.76  -0.15     0.00  -0.00   0.00
    28   1     0.38   0.87  -0.23     0.00   0.01  -0.00     0.00   0.00  -0.00
    29   1    -0.00   0.00   0.00     0.01   0.01   0.01    -0.00  -0.00  -0.00
    30   1    -0.00   0.00  -0.00     0.00   0.01  -0.02    -0.00  -0.00   0.00
    31   1    -0.00  -0.00   0.00     0.01   0.01  -0.00     0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  8 and mass  15.99491
 Atom    19 has atomic number  8 and mass  15.99491
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  6 and mass  12.00000
 Atom    24 has atomic number  8 and mass  15.99491
 Atom    25 has atomic number  6 and mass  12.00000
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Molecular mass:   230.09429 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1382.138778633.188329145.70260
           X            0.99986  -0.01492  -0.00738
           Y            0.01467   0.99936  -0.03277
           Z            0.00787   0.03265   0.99944
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06267     0.01003     0.00947
 Rotational constants (GHZ):           1.30576     0.20905     0.19733
 Zero-point vibrational energy     657434.9 (Joules/Mol)
                                  157.13071 (Kcal/Mol)
 Warning -- explicit consideration of  24 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     31.25    48.57    62.41   109.73   163.21
          (Kelvin)            199.80   265.42   292.02   316.06   334.56
                              363.80   401.31   445.17   546.65   583.61
                              595.53   600.05   695.88   696.48   745.44
                              769.68   808.83   839.14   863.96   906.96
                              992.85  1003.39  1061.31  1118.56  1127.49
                             1180.22  1188.12  1204.31  1232.64  1289.89
                             1327.76  1347.80  1372.54  1391.91  1409.80
                             1480.64  1538.72  1569.12  1581.18  1678.75
                             1686.99  1691.64  1699.80  1711.18  1727.27
                             1733.98  1805.93  1867.04  1867.64  1880.40
                             1907.26  1923.06  1994.74  2019.82  2029.17
                             2036.32  2095.44  2129.66  2146.93  2152.92
                             2153.04  2167.60  2194.89  2225.60  2312.20
                             2376.39  2410.94  2641.02  4332.45  4335.31
                             4388.76  4414.76  4480.36  4507.29  4514.24
                             4540.78  4550.47  4566.77  4577.29  4587.42
                             4628.31  5346.91
 
 Zero-point correction=                           0.250404 (Hartree/Particle)
 Thermal correction to Energy=                    0.265717
 Thermal correction to Enthalpy=                  0.266662
 Thermal correction to Gibbs Free Energy=         0.206220
 Sum of electronic and zero-point Energies=           -767.719664
 Sum of electronic and thermal Energies=              -767.704351
 Sum of electronic and thermal Enthalpies=            -767.703406
 Sum of electronic and thermal Free Energies=         -767.763848
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  166.740             58.780            127.210
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.202
 Rotational               0.889              2.981             33.056
 Vibrational            164.963             52.818             51.952
 Vibration     1          0.593              1.985              6.470
 Vibration     2          0.594              1.983              5.595
 Vibration     3          0.595              1.980              5.098
 Vibration     4          0.599              1.965              3.985
 Vibration     5          0.607              1.938              3.209
 Vibration     6          0.614              1.914              2.819
 Vibration     7          0.631              1.861              2.283
 Vibration     8          0.639              1.836              2.106
 Vibration     9          0.647              1.811              1.962
 Vibration    10          0.653              1.791              1.859
 Vibration    11          0.664              1.758              1.711
 Vibration    12          0.679              1.713              1.540
 Vibration    13          0.699              1.656              1.365
 Vibration    14          0.750              1.513              1.039
 Vibration    15          0.771              1.458              0.942
 Vibration    16          0.778              1.440              0.913
 Vibration    17          0.780              1.433              0.902
 Vibration    18          0.840              1.286              0.700
 Vibration    19          0.840              1.285              0.699
 Vibration    20          0.873              1.210              0.614
 Vibration    21          0.890              1.173              0.576
 Vibration    22          0.918              1.113              0.520
 Vibration    23          0.940              1.068              0.479
 Vibration    24          0.959              1.031              0.449
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.139773D-94        -94.854577       -218.410734
 Total V=0       0.210398D+21         20.323042         46.795534
 Vib (Bot)       0.272455-109       -109.564705       -252.282056
 Vib (Bot)    1  0.953540D+01          0.979339          2.255011
 Vib (Bot)    2  0.613220D+01          0.787616          1.813553
 Vib (Bot)    3  0.476832D+01          0.678365          1.561994
 Vib (Bot)    4  0.270192D+01          0.431673          0.993963
 Vib (Bot)    5  0.180417D+01          0.256277          0.590100
 Vib (Bot)    6  0.146471D+01          0.165753          0.381661
 Vib (Bot)    7  0.108707D+01          0.036258          0.083488
 Vib (Bot)    8  0.981278D+00         -0.008208         -0.018900
 Vib (Bot)    9  0.900564D+00         -0.045485         -0.104734
 Vib (Bot)   10  0.846091D+00         -0.072583         -0.167129
 Vib (Bot)   11  0.770830D+00         -0.113041         -0.260287
 Vib (Bot)   12  0.689694D+00         -0.161344         -0.371508
 Vib (Bot)   13  0.611344D+00         -0.213714         -0.492095
 Vib (Bot)   14  0.475896D+00         -0.322488         -0.742557
 Vib (Bot)   15  0.437592D+00         -0.358931         -0.826469
 Vib (Bot)   16  0.426178D+00         -0.370409         -0.852899
 Vib (Bot)   17  0.421965D+00         -0.374724         -0.862833
 Vib (Bot)   18  0.344703D+00         -0.462555         -1.065072
 Vib (Bot)   19  0.344285D+00         -0.463082         -1.066286
 Vib (Bot)   20  0.312088D+00         -0.505723         -1.164470
 Vib (Bot)   21  0.297577D+00         -0.526401         -1.212084
 Vib (Bot)   22  0.275889D+00         -0.559265         -1.287755
 Vib (Bot)   23  0.260427D+00         -0.584314         -1.345434
 Vib (Bot)   24  0.248541D+00         -0.604601         -1.392146
 Vib (V=0)       0.410123D+06          5.612914         12.924212
 Vib (V=0)    1  0.100485D+02          1.002101          2.307423
 Vib (V=0)    2  0.665255D+01          0.822988          1.895000
 Vib (V=0)    3  0.529446D+01          0.723822          1.666661
 Vib (V=0)    4  0.324780D+01          0.511589          1.177977
 Vib (V=0)    5  0.237217D+01          0.375146          0.863806
 Vib (V=0)    6  0.204770D+01          0.311267          0.716719
 Vib (V=0)    7  0.169655D+01          0.229566          0.528595
 Vib (V=0)    8  0.160132D+01          0.204478          0.470828
 Vib (V=0)    9  0.153006D+01          0.184707          0.425304
 Vib (V=0)   10  0.148279D+01          0.171079          0.393923
 Vib (V=0)   11  0.141879D+01          0.151919          0.349806
 Vib (V=0)   12  0.135187D+01          0.130934          0.301487
 Vib (V=0)   13  0.128977D+01          0.110513          0.254466
 Vib (V=0)   14  0.119027D+01          0.075647          0.174183
 Vib (V=0)   15  0.116444D+01          0.066119          0.152244
 Vib (V=0)   16  0.115698D+01          0.063327          0.145816
 Vib (V=0)   17  0.115426D+01          0.062303          0.143458
 Vib (V=0)   18  0.110731D+01          0.044267          0.101930
 Vib (V=0)   19  0.110707D+01          0.044174          0.101715
 Vib (V=0)   20  0.108941D+01          0.037190          0.085632
 Vib (V=0)   21  0.108185D+01          0.034168          0.078674
 Vib (V=0)   22  0.107106D+01          0.029816          0.068653
 Vib (V=0)   23  0.106376D+01          0.026842          0.061807
 Vib (V=0)   24  0.105837D+01          0.024636          0.056726
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.137187D+09          8.137313         18.736855
 Rotational      0.373952D+07          6.572816         15.134467
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3            3333333333333                             111111111111111111111111111111111                                        
     7            2111111110000                             866655544444444333322222111110000999998888877766665555444443322222111    
     1            1887653316511                             3750420999851108320995008877699628653295322873993086318811080753208317432
     6            7814368348031                             6627767662065046767885519163791990747377760478700032584474609933034936342
 
     X            XXXXXXXXXXXXX                             XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX
     X                     X  X                             XXX XXX         X X XX  X X    X      X           X  X                   
     X                        X                             XXX X           X X XX  X X    X                                         
     X                                                      XXX X           X X XX    X                                              
     X                                                      X               X X X                                                    
     X                                                      X               X X X                                                    
     X                                                      X               X X X                                                    
                                                            X                 X X                                                    
                                                            X                 X                                                      
                                                            X                 X                                                      
                                                            X                 X                                                      
                                                            X                 X                                                      
                                                            X                 X                                                      
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000001794   -0.000000985    0.000000243
      2        6           0.000002109   -0.000001420    0.000000115
      3        6          -0.000002264   -0.000001078    0.000000118
      4        6           0.000000100    0.000001040    0.000001378
      5        6           0.000001357    0.000000498   -0.000000323
      6        6          -0.000001937    0.000000896   -0.000000518
      7        6          -0.000002351    0.000000313    0.000000201
      8        1           0.000000290    0.000000696    0.000000174
      9        1           0.000000226   -0.000000047   -0.000000068
     10        1           0.000000516   -0.000000305   -0.000000097
     11        6           0.000002790    0.000001082   -0.000002405
     12        6           0.000002238    0.000000670    0.000001504
     13        6          -0.000010757   -0.000003045    0.000009697
     14        1           0.000000020    0.000000448   -0.000000071
     15        1          -0.000000449   -0.000000003   -0.000000083
     16        1          -0.000000169    0.000000520    0.000000081
     17        1          -0.000000550    0.000000615    0.000000133
     18        8           0.000006505    0.000003850   -0.000003189
     19        8           0.000001760   -0.000001745   -0.000007030
     20        1           0.000000842    0.000000284    0.000000411
     21        6          -0.000000446    0.000002132   -0.000000821
     22        6           0.000006738   -0.000003367    0.000000763
     23        6          -0.000003416    0.000002209    0.000000172
     24        8          -0.000006440    0.000003526   -0.000002390
     25        6           0.000002905   -0.000006946    0.000002879
     26        1           0.000000250   -0.000000069    0.000000080
     27        1          -0.000000246   -0.000000864    0.000000319
     28        1           0.000000355   -0.000000411   -0.000000191
     29        1          -0.000000298    0.000000484   -0.000000222
     30        1          -0.000000509    0.000000478   -0.000000815
     31        1          -0.000000964    0.000000546   -0.000000044
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000010757 RMS     0.000002558
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.311177D+03 -0.180893D+02 -0.804335D+01
      2  -0.180893D+02  0.181487D+03 -0.111747D+02
      3  -0.804335D+01 -0.111747D+02  0.126490D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.627614D+01  0.208383D+02 -0.171469D+01
      2  -0.108772D+01 -0.172808D+02 -0.303347D+02
      3   0.138403D+03 -0.554206D+02  0.215307D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.394704D+03 -0.195910D+03  0.198461D+02
      2  -0.194251D+03  0.152139D+03 -0.517333D+02
      3  -0.200453D+03  0.437707D+02  0.318871D+02
      4  -0.124489D+03  0.104106D+03 -0.479635D+02
      5   0.812687D+02 -0.578065D+02 -0.600493D+02
      6  -0.196874D+02  0.143312D+02 -0.621532D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.438047D+02  0.131261D+02 -0.100481D+01 -0.388586D+02  0.730501D+01
      2   0.131261D+02 -0.792261D+01  0.112350D+01  0.730501D+01 -0.618230D+01
      3  -0.100481D+01  0.112350D+01 -0.163948D-01  0.186649D+00  0.908736D+00
                 6             7             8             9            10 
      1   0.186649D+00  0.125891D+02 -0.295969D+01 -0.105646D+01  0.414357D+02
      2   0.908736D+00 -0.295969D+01  0.160551D+01 -0.117142D+01 -0.130819D+02
      3   0.153649D-01 -0.105646D+01 -0.117142D+01  0.723683D+00  0.879728D+00
                11            12            13            14            15 
      1  -0.130819D+02  0.879728D+00  0.424826D+02 -0.853138D+01 -0.476709D-01
      2   0.422679D+01 -0.255231D+00 -0.853138D+01  0.852929D+01 -0.138915D+01
      3  -0.255231D+00 -0.895821D-01 -0.476709D-01 -0.138915D+01 -0.389144D-01
                16            17            18            19            20 
      1  -0.129336D+02  0.313718D+01  0.800547D+00  0.436709D+02 -0.126008D+02
      2   0.313718D+01 -0.185847D+01  0.128733D+01 -0.126008D+02  0.110279D+02
      3   0.800547D+00  0.128733D+01 -0.484704D+00  0.122694D+01 -0.204697D+01
                21            22            23            24            25 
      1   0.122694D+01 -0.230327D+02  0.414790D+01 -0.638330D+00  0.400219D+01
      2  -0.204697D+01  0.414790D+01 -0.740477D+01  0.297881D+00 -0.863294D+00
      3   0.518601D+00 -0.638330D+00  0.297881D+00 -0.156824D+01 -0.578018D+00
                26            27            28            29            30 
      1  -0.863294D+00 -0.578018D+00 -0.518555D+02  0.653778D+01  0.269362D+00
      2  -0.394651D+00 -0.292293D+01  0.653778D+01 -0.467998D+01  0.977290D-01
      3  -0.292293D+01  0.206890D+01  0.269362D+00  0.977290D-01 -0.204340D+01
                31            32            33            34            35 
      1   0.947212D+01 -0.381459D+01 -0.802568D+00 -0.462554D+01 -0.581953D+00
      2  -0.381459D+01  0.163419D+02 -0.353569D+01 -0.581953D+00 -0.291777D+01
      3  -0.802568D+00 -0.353569D+01  0.595201D+00 -0.664715D+01  0.153444D+01
                36            37            38            39            40 
      1  -0.664715D+01 -0.206837D+01 -0.167325D+01  0.493195D+00  0.109214D+02
      2   0.153444D+01 -0.167325D+01 -0.138419D+02  0.305398D+01 -0.123354D+01
      3   0.200981D+00  0.493195D+00  0.305398D+01 -0.278328D+01 -0.959132D+00
                41            42            43            44            45 
      1  -0.123354D+01 -0.959132D+00 -0.293361D+01 -0.877169D+00 -0.515965D+01
      2  -0.600467D+01  0.262224D+01 -0.877169D+00  0.373150D+01  0.217214D+01
      3   0.262224D+01  0.862444D+00 -0.515965D+01  0.217214D+01 -0.888152D+00
                46            47            48            49            50 
      1   0.803289D+01  0.147463D+01 -0.632587D+00  0.149038D+01 -0.402047D+01
      2   0.147463D+01  0.979882D+01 -0.165334D+01 -0.402047D+01  0.917619D+00
      3  -0.632587D+00 -0.165334D+01  0.216962D+01  0.120916D+01  0.148291D+01
                51            52            53            54            55 
      1   0.120916D+01 -0.461040D+00  0.122762D+01  0.730587D+00 -0.316556D+01
      2   0.148291D+01  0.122762D+01  0.141363D+01  0.398441D+01 -0.307796D+01
      3   0.777244D+00  0.730587D+00  0.398441D+01 -0.253941D+01  0.828814D+00
                56            57            58            59            60 
      1  -0.307796D+01  0.828814D+00 -0.209766D+01  0.445119D+01 -0.127924D+01
      2  -0.515957D+01  0.689147D+00  0.445119D+01 -0.292857D+01 -0.822729D+00
      3   0.689147D+00 -0.232939D+01 -0.127924D+01 -0.822729D+00 -0.712569D+00
                61            62            63            64            65 
      1   0.480025D+00 -0.132270D+01 -0.305951D+00 -0.157039D+01 -0.218278D+01
      2  -0.132270D+01 -0.871870D+00 -0.361491D+01 -0.218278D+01 -0.108944D+01
      3  -0.305951D+00 -0.361491D+01  0.242288D+01  0.562852D+00  0.280522D+00
                66            67            68            69            70 
      1   0.562852D+00 -0.308392D+01 -0.274111D+01  0.833458D+00  0.921915D+00
      2   0.280522D+00 -0.274111D+01 -0.532616D+01  0.128814D+01  0.835887D+00
      3  -0.420425D+00  0.833458D+00  0.128814D+01 -0.118514D+01 -0.312362D+00
                71            72            73            74            75 
      1   0.835887D+00 -0.312362D+00 -0.576313D+01  0.355892D+01 -0.471704D+00
      2   0.131232D+01 -0.466604D+00  0.355892D+01 -0.374153D+01  0.593562D+00
      3  -0.466604D+00  0.404547D+00 -0.471704D+00  0.593562D+00 -0.537652D+00
                76            77            78            79            80 
      1   0.407877D+01 -0.469243D+01  0.977990D+00 -0.607592D+00  0.105935D+01
      2  -0.469243D+01  0.663655D+01 -0.101084D+01  0.105935D+01 -0.122635D+01
      3   0.977990D+00 -0.101084D+01  0.955103D+00  0.247975D+00  0.463790D+00
                81            82            83            84            85 
      1   0.247975D+00  0.125088D+01  0.187397D+01 -0.509688D+00  0.845793D+00
      2   0.463790D+00  0.187397D+01  0.290836D+01 -0.739006D+00  0.191145D+01
      3  -0.354746D+00 -0.509688D+00 -0.739006D+00  0.479325D+00 -0.439523D+00
                86            87            88            89            90 
      1   0.191145D+01 -0.439523D+00 -0.267465D+00 -0.513542D+00  0.157646D+00
      2   0.989053D+01 -0.223546D+01 -0.513542D+00 -0.259691D+01  0.659171D+00
      3  -0.223546D+01  0.149701D+01  0.157646D+00  0.659171D+00 -0.433369D+00
                91            92            93            94            95 
      1   0.173012D+02 -0.180127D+01  0.368377D+00  0.527862D+01  0.110312D+01
      2  -0.180127D+01  0.162061D+01  0.713412D+00  0.110312D+01 -0.253226D+01
      3   0.368377D+00  0.713412D+00  0.259634D+01  0.621518D+00  0.216549D+01
                96            97            98            99           100 
      1   0.621518D+00 -0.357411D+01  0.158938D+01  0.768185D+01  0.878603D+01
      2   0.216549D+01  0.158938D+01  0.188789D+01 -0.229528D+00  0.251464D+00
      3   0.668610D+00  0.768185D+01 -0.229528D+00 -0.150826D+01 -0.210821D+01
               101           102           103           104           105 
      1   0.251464D+00 -0.210821D+01 -0.702993D+00 -0.192536D+01 -0.315724D+00
      2  -0.176187D+01 -0.380513D+00 -0.192536D+01 -0.214030D-01 -0.368580D+01
      3  -0.380513D+00 -0.200559D+01 -0.315724D+00 -0.368580D+01 -0.673932D+00
               106           107           108           109           110 
      1   0.609032D+01 -0.809722D+00 -0.501345D+01  0.548398D+01  0.394860D+01
      2  -0.809722D+00 -0.258403D+01 -0.132284D+00  0.394860D+01  0.166511D+01
      3  -0.501345D+01 -0.132284D+00  0.260797D+01 -0.154241D+01 -0.425035D+00
               111           112           113           114           115 
      1  -0.154241D+01  0.398961D+00  0.159460D+01 -0.136509D+01 -0.850088D+01
      2  -0.425035D+00  0.159460D+01  0.594701D+00 -0.978204D+00 -0.226069D+01
      3  -0.897992D+00 -0.136509D+01 -0.978204D+00 -0.157268D+00 -0.373378D+01
               116           117           118           119           120 
      1  -0.226069D+01 -0.373378D+01 -0.134597D+01  0.228711D+01 -0.841184D+00
      2  -0.197852D+01 -0.212141D+00  0.228711D+01 -0.200869D+01  0.854505D-01
      3  -0.212141D+00  0.628589D+00 -0.841184D+00  0.854505D-01 -0.136806D+01
               121           122           123           124           125 
      1   0.485752D+01 -0.219083D+01  0.204568D+00 -0.170529D+01  0.182085D+00
      2  -0.219083D+01  0.514733D+01 -0.115550D+01  0.182085D+00 -0.157524D+01
      3   0.204568D+00 -0.115550D+01  0.148214D+01 -0.156153D+01  0.109550D+01
               126           127           128           129           130 
      1  -0.156153D+01  0.538236D+00 -0.592566D+00  0.154409D+00 -0.210911D+01
      2   0.109550D+01 -0.592566D+00  0.931396D+00 -0.426320D+00  0.198204D+00
      3  -0.687496D+00  0.154409D+00 -0.426320D+00  0.165367D+01  0.430238D+00
               131           132           133           134           135 
      1   0.198204D+00  0.430238D+00  0.483645D+00 -0.455596D-01  0.251030D+00
      2  -0.327209D+01  0.216123D+01 -0.455596D-01  0.171520D+01 -0.127850D+01
      3   0.216123D+01 -0.290722D+01  0.251030D+00 -0.127850D+01  0.225258D+01
               136           137           138           139           140 
      1  -0.155187D+02  0.186875D+00  0.395110D+01 -0.640178D+00 -0.105080D+01
      2   0.186875D+00 -0.902356D+00 -0.260557D+00 -0.105080D+01 -0.747794D-01
      3   0.395110D+01 -0.260557D+00 -0.266400D+01  0.249045D-01  0.667425D+00
               141           142           143           144           145 
      1   0.249045D-01  0.136429D+01  0.167669D+00 -0.123444D+01 -0.267758D+00
      2   0.667425D+00  0.167669D+00  0.143295D+00 -0.458757D-01  0.709907D+00
      3  -0.168263D+00 -0.123444D+01 -0.458757D-01  0.492901D+00  0.551848D+00
               146           147           148           149           150 
      1   0.709907D+00  0.551848D+00  0.159739D+01 -0.841015D-02 -0.501253D+00
      2   0.101905D+01  0.717241D+00 -0.841015D-02  0.389995D+01  0.306892D+01
      3   0.717241D+00  0.161454D+01 -0.501253D+00  0.306892D+01  0.372267D+01
               151           152           153           154           155 
      1   0.218404D+00 -0.641248D-01  0.305592D-01 -0.158604D+02 -0.519643D+01
      2  -0.641248D-01  0.222678D+01  0.222985D+01 -0.519643D+01 -0.303677D+01
      3   0.305592D-01  0.222985D+01  0.370678D+01  0.105753D+01 -0.323400D+00
               156           157           158           159           160 
      1   0.105753D+01 -0.798492D+01 -0.592789D+01  0.812616D+00  0.170357D+01
      2  -0.323400D+00 -0.592789D+01 -0.507829D+01  0.586547D+00  0.858426D+00
      3  -0.245154D+01  0.812616D+00  0.586547D+00 -0.149870D+01 -0.213789D+01
               161           162           163           164           165 
      1   0.858426D+00 -0.213789D+01 -0.114474D+02 -0.366455D+01 -0.284907D+01
      2   0.146218D+01 -0.114081D+01 -0.366455D+01 -0.614781D+00 -0.537431D-02
      3  -0.114081D+01  0.182139D+01 -0.284907D+01 -0.537431D-02 -0.111138D+01
               166           167           168           169           170 
      1  -0.735618D+01 -0.138741D+01 -0.948134D+00  0.193734D+01  0.605975D+00
      2  -0.138741D+01 -0.129835D+01 -0.185512D+01  0.605975D+00 -0.256853D+00
      3  -0.948134D+00 -0.185512D+01 -0.238588D+01 -0.638119D+00 -0.137689D+01
               171           172           173           174           175 
      1  -0.638119D+00  0.973274D+01  0.300637D+01  0.962945D+00  0.855248D+01
      2  -0.137689D+01  0.300637D+01  0.104694D+01  0.568534D+00  0.153744D+01
      3  -0.707875D+01  0.962945D+00  0.568534D+00  0.267936D+01  0.136471D+01
               176           177           178           179           180 
      1   0.153744D+01  0.136471D+01  0.366876D+01  0.690985D+00  0.158448D+01
      2   0.587954D+00 -0.413675D+00  0.690985D+00 -0.107802D+01  0.672722D+00
      3  -0.413675D+00  0.173527D+01  0.158448D+01  0.672722D+00 -0.163407D+01
               181           182           183           184           185 
      1   0.397757D+01  0.169227D+01 -0.320439D+00 -0.142231D+02  0.384272D+01
      2   0.169227D+01  0.993015D+01 -0.225154D+01  0.384272D+01  0.236227D+01
      3  -0.320439D+00 -0.225154D+01  0.284894D+01  0.694090D+00 -0.199827D+01
               186           187           188           189           190 
      1   0.694090D+00  0.362884D+01 -0.303997D+00  0.378172D+01  0.360008D+02
      2  -0.199827D+01 -0.303997D+00 -0.278455D+01 -0.246267D+01 -0.823216D+01
      3  -0.103683D+01  0.378172D+01 -0.246267D+01  0.117487D+01  0.641933D+00
               191           192           193           194           195 
      1  -0.823216D+01  0.641933D+00 -0.548985D+01  0.400760D+01  0.105682D+01
      2   0.954808D+01 -0.105319D+01  0.400760D+01 -0.130846D+02  0.272229D+01
      3  -0.105319D+01  0.377663D+01  0.105682D+01  0.272229D+01 -0.733601D+00
               196           197           198           199           200 
      1  -0.531453D-01  0.115669D+01  0.672100D+01 -0.375928D+02  0.133914D+02
      2   0.115669D+01  0.195901D+01 -0.184384D+01  0.133914D+02 -0.918155D+01
      3   0.672100D+01 -0.184384D+01 -0.293761D+00 -0.110158D+01  0.175912D+01
               201           202           203           204           205 
      1  -0.110158D+01  0.203073D+02 -0.668851D+01  0.756085D+00 -0.237671D+01
      2   0.175912D+01 -0.668851D+01  0.783411D+01  0.115130D+00  0.124586D+01
      3  -0.553032D+00  0.756085D+00  0.115130D+00  0.189079D+01  0.467696D+00
               206           207           208           209           210 
      1   0.124586D+01  0.467696D+00 -0.676805D+01  0.459067D+01 -0.784508D+00
      2   0.896201D+00  0.412724D+01  0.459067D+01 -0.434054D+01  0.790124D+00
      3   0.412724D+01 -0.268748D+01 -0.784508D+00  0.790124D+00 -0.238579D+00
               211           212           213           214           215 
      1  -0.196106D+01  0.386868D+01 -0.805013D+00  0.954903D+00 -0.108356D+01
      2   0.386868D+01  0.442747D+00 -0.471171D+00 -0.108356D+01  0.456464D+00
      3  -0.805013D+00 -0.471171D+00 -0.102997D+01  0.643591D+00  0.611876D+00
               216           217           218           219           220 
      1   0.643591D+00 -0.341824D+00 -0.444974D+01  0.987716D+00 -0.251243D+01
      2   0.611876D+00 -0.444974D+01  0.215839D+01  0.106859D+00 -0.224478D+01
      3  -0.683318D-01  0.987716D+00  0.106859D+00 -0.470763D-01  0.505694D+00
               221           222           223           224           225 
      1  -0.224478D+01  0.505694D+00  0.312267D+00  0.560583D+00 -0.270951D+01
      2   0.282465D+01  0.215744D+01  0.560583D+00  0.157948D+01  0.419081D+01
      3   0.215744D+01  0.548792D+01 -0.270951D+01  0.419081D+01 -0.343517D+01
               226           227           228           229           230 
      1  -0.848524D+00 -0.165729D+01  0.454220D+00 -0.574292D+00 -0.132493D+01
      2  -0.165729D+01 -0.247526D+01  0.649316D+00 -0.132493D+01 -0.854603D+01
      3   0.454220D+00  0.649316D+00 -0.439563D+00  0.328295D+00  0.194160D+01
               231           232           233           234           235 
      1   0.328295D+00  0.215034D+00  0.443779D+00 -0.176768D-01  0.584469D+01
      2   0.194160D+01  0.443779D+00  0.217086D+01 -0.602832D+00 -0.309853D+01
      3  -0.139380D+01 -0.176768D-01 -0.602832D+00  0.413916D+00  0.366390D+00
               236           237           238           239           240 
      1  -0.309853D+01  0.366390D+00 -0.475799D+01  0.448453D+01 -0.953028D+00
      2   0.281020D+01 -0.427893D+00  0.448453D+01 -0.567256D+01  0.933450D+00
      3  -0.427893D+00  0.349114D+00 -0.953028D+00  0.933450D+00 -0.830943D+00
               241           242           243           244           245 
      1   0.721085D+00 -0.992221D+00 -0.278229D+00  0.180403D+01  0.289906D+01
      2  -0.992221D+00  0.116971D+01 -0.221665D+00  0.289906D+01  0.224711D+01
      3  -0.278229D+00 -0.221665D+00  0.250172D+00 -0.770495D+00 -0.605031D+00
               246           247           248           249           250 
      1  -0.770495D+00  0.367935D+01  0.356330D+01 -0.963087D+00 -0.977140D+00
      2  -0.605031D+00  0.356330D+01  0.713988D+01 -0.170079D+01 -0.990178D+00
      3   0.643400D+00 -0.963087D+00 -0.170079D+01  0.138909D+01  0.520286D+00
               251           252           253           254           255 
      1  -0.990178D+00  0.520286D+00 -0.788317D+00  0.845716D-01 -0.741555D+00
      2  -0.184246D+01  0.493990D+00  0.845716D-01 -0.688053D+00 -0.635324D-01
      3   0.493990D+00 -0.426115D+00 -0.741555D+00 -0.635324D-01 -0.544688D+00
               256           257           258           259           260 
      1  -0.279938D+01  0.282987D+01  0.149347D+01 -0.359761D+01  0.187684D+01
      2   0.282987D+01 -0.507899D+01 -0.287585D+01  0.187684D+01 -0.316557D+01
      3   0.149347D+01 -0.287585D+01 -0.284429D+01  0.224019D+01 -0.293884D+01
               261           262           263           264           265 
      1   0.224019D+01  0.141866D-01  0.235052D+00  0.105431D+01 -0.103748D+01
      2  -0.293884D+01  0.235052D+00 -0.450862D+00 -0.254410D+00  0.148606D+01
      3  -0.303292D+01  0.105431D+01 -0.254410D+00 -0.443281D-01 -0.119435D+01
               266           267           268           269           270 
      1   0.148606D+01 -0.119435D+01  0.536852D+01 -0.188067D+01  0.383200D+01
      2  -0.175008D+01  0.137252D+01 -0.188067D+01  0.186636D+01 -0.266247D+01
      3   0.137252D+01 -0.227766D+01  0.383200D+01 -0.266247D+01  0.660822D+01
               271           272           273           274           275 
      1   0.151336D+02  0.145441D+01 -0.113343D+01  0.525906D+01  0.145076D+01
      2   0.145441D+01  0.956859D+00 -0.571566D-01  0.145076D+01  0.110642D+01
      3  -0.113343D+01 -0.571566D-01  0.125639D+01 -0.288115D+00 -0.363703D+00
               276           277           278           279 
      1  -0.288115D+00 -0.204647D+01 -0.892355D-01  0.169305D+01
      2  -0.363703D+00 -0.892355D-01 -0.465103D+00 -0.199055D+00
      3   0.364353D+00  0.169305D+01 -0.199055D+00 -0.225644D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.260028D+01  0.252206D+01 -0.288040D+00  0.219530D+01 -0.890115D+00
      2   0.263447D+01  0.910167D+01 -0.122564D+01  0.727657D+01 -0.744680D+01
      3  -0.186891D+02  0.429343D+02 -0.995814D+01  0.221504D+02 -0.300581D+02
                 6             7             8             9            10 
      1  -0.228943D+00 -0.525008D+01  0.836540D+01 -0.179384D+01 -0.374266D+00
      2   0.195913D+01 -0.210239D+02  0.402664D+01 -0.214197D-01 -0.211799D+01
      3   0.623794D+01  0.142074D+01  0.347150D+01 -0.455072D+00  0.304730D+02
                11            12            13            14            15 
      1   0.339470D+01 -0.115287D+01 -0.207894D+00  0.991040D+00  0.631845D+00
      2   0.100148D+02 -0.721425D+01  0.570695D+01 -0.625319D+01  0.102899D+01
      3   0.365227D+02 -0.955430D+01  0.743713D+02 -0.333867D+02  0.402729D+01
                16            17            18            19            20 
      1  -0.557728D+01  0.714879D+01 -0.162321D+01 -0.355616D+01 -0.648859D+00
      2  -0.232496D+02  0.353866D+01  0.640224D+00 -0.538361D+01 -0.730761D+01
      3  -0.144163D+02  0.467549D+01 -0.660187D+00  0.172424D+02 -0.384907D+02
                21            22            23            24            25 
      1   0.945851D-01 -0.110148D+01  0.977939D-01 -0.111352D+01 -0.646852D+01
      2   0.125144D+01 -0.242006D+01  0.267023D+01  0.766374D+00 -0.186182D+02
      3   0.911072D+01 -0.120001D+02  0.529000D+01 -0.229697D+01  0.879522D+01
                26            27            28            29            30 
      1   0.322712D+01 -0.120874D+01 -0.102312D+01  0.165555D+01  0.737701D+00
      2   0.760893D+01 -0.175294D+01  0.350368D+00  0.308938D+01  0.265999D-01
      3  -0.230605D+01 -0.106044D+01 -0.425290D+02  0.134970D+02 -0.178294D+01
                31            32            33            34            35 
      1   0.556006D+01  0.517547D+01  0.161144D+00  0.474067D+01  0.134544D+02
      2   0.371516D+01 -0.848433D+00  0.322842D-01 -0.148209D+02  0.140704D+01
      3   0.362502D+02 -0.854936D+01 -0.503782D+00 -0.460249D+01 -0.224340D+01
                36            37            38            39            40 
      1  -0.286654D+01 -0.340984D+00  0.782619D+00  0.677215D+01  0.265715D+01
      2   0.739805D+00 -0.548492D+01  0.108393D+01  0.168951D+01 -0.290198D+01
      3  -0.398066D+01 -0.189671D+02  0.392300D+01 -0.126313D+01  0.898281D+01
                41            42            43            44            45 
      1  -0.488225D+00 -0.174945D+01  0.176565D+02  0.421862D+01 -0.159405D+01
      2  -0.345489D+01 -0.108494D+01 -0.712447D+01 -0.753160D+01  0.204851D+01
      3  -0.208860D+01 -0.841161D+00 -0.326701D+01  0.122033D+00 -0.700544D+01
                46            47            48            49            50 
      1   0.311152D+00 -0.298609D+01 -0.589969D+01 -0.279995D+01 -0.399652D+00
      2   0.804032D+01 -0.734195D+01  0.191304D+01 -0.711044D+01  0.730688D+01
      3   0.384430D+02 -0.307961D+02  0.615538D+01 -0.101395D+02  0.262786D+02
                51            52            53            54            55 
      1  -0.279777D+01 -0.863299D+01 -0.496427D+01  0.381434D+01  0.760791D+00
      2  -0.154617D+01 -0.155635D+02 -0.379838D+00  0.207814D+01  0.736544D+01
      3  -0.442256D+01  0.485159D+01 -0.334854D+01  0.532846D+01  0.376043D+02
                56            57            58            59            60 
      1  -0.435489D+01 -0.465679D+01 -0.132051D+01  0.666579D+00 -0.188894D+01
      2  -0.943832D+01 -0.401788D+01 -0.709734D+01  0.647211D+01 -0.223364D+01
      3  -0.343585D+02  0.878820D+01 -0.789400D+01  0.332728D+02 -0.482791D+01
                61            62            63            64            65 
      1  -0.732885D+01 -0.238909D+01  0.187795D+01 -0.335395D+00 -0.573451D+00
      2  -0.216530D+02 -0.251317D+01  0.539274D+01  0.815119D+00  0.639037D+00
      3   0.630489D+01 -0.286968D+01  0.103287D+02  0.741761D+00 -0.400888D+00
                66            67            68            69            70 
      1  -0.141931D+01 -0.817015D+00 -0.166556D+01 -0.304887D+01 -0.861698D+00
      2   0.308705D+00  0.119184D+01 -0.499738D+00  0.192225D+01 -0.256214D+01
      3   0.221597D+00  0.369864D+01 -0.560397D+01  0.130325D+01 -0.649505D-01
                71            72            73            74            75 
      1   0.259412D+01  0.372581D+00 -0.364924D+00  0.379483D+00  0.268346D+01
      2  -0.828084D+00  0.163269D-02 -0.163657D+01  0.243138D-01  0.190716D+01
      3   0.133987D+01  0.391537D+00 -0.104965D+02  0.116362D+01 -0.127838D+00
                76            77            78            79            80 
      1  -0.129173D+01  0.328020D+00 -0.393692D+01 -0.304755D+01  0.126759D+01
      2  -0.483726D+00  0.319904D+00 -0.263938D+01 -0.231222D+01 -0.106091D+00
      3   0.427410D+01  0.737845D+00  0.786667D+00  0.450051D+00 -0.138452D+00
                81            82            83            84            85 
      1   0.738830D+00  0.647549D+00  0.333411D+00 -0.197254D+01  0.589766D+00
      2   0.894733D+00  0.127075D+01  0.586142D+00  0.683519D+00  0.982199D+00
      3   0.121036D+01  0.626568D+01  0.259166D+01 -0.116409D+01  0.547814D+01
                86            87            88            89            90 
      1   0.120019D+01 -0.556373D+01  0.107964D+01  0.241950D+01  0.725796D+00
      2   0.113626D+01  0.103674D+01 -0.130965D+01  0.489526D+00 -0.698714D+00
      3   0.372273D+01 -0.145032D+01 -0.126907D+01 -0.169746D+01 -0.349918D+00
                91            92            93            94            95 
      1   0.318742D+01  0.964452D+00 -0.164532D+01  0.654644D+01  0.520526D+00
      2  -0.547771D+01 -0.171105D+01 -0.531596D+01 -0.167847D+01 -0.985582D+01
      3   0.160942D+02  0.320226D+00  0.189678D+01  0.242398D+02 -0.154930D+02
                96            97            98            99           100 
      1  -0.243369D+01 -0.170147D+01  0.528938D+01  0.710323D+00  0.400967D+01
      2  -0.169022D+00 -0.336463D+02  0.119437D+01  0.393472D+01 -0.997130D+01
      3   0.975644D+01 -0.718373D+00  0.136240D+02  0.690248D+01  0.542545D+01
               101           102           103           104           105 
      1  -0.675002D+01  0.833168D+00 -0.290857D+01  0.449530D+00 -0.123667D+02
      2  -0.104399D+01  0.165262D+02 -0.273879D+01  0.197685D+02  0.279715D+01
      3  -0.150655D+02 -0.263396D+00 -0.949600D+01  0.179046D+01 -0.165246D+02
               106           107           108           109           110 
      1   0.311178D+01 -0.664792D+01 -0.347866D+01 -0.470839D+01  0.269955D+01
      2   0.180361D+02 -0.311630D+00 -0.520444D+01  0.106975D+02  0.531672D+01
      3   0.738628D+01 -0.154270D+02 -0.497321D+01 -0.725950D+01  0.769054D+01
               111           112           113           114           115 
      1   0.109967D+02 -0.102448D+02 -0.745319D+01 -0.498318D+01  0.971852D+01
      2   0.304439D+01  0.738785D+01  0.423933D+01 -0.117282D+02  0.667375D+01
      3  -0.743887D+01  0.524942D+01  0.186378D+02 -0.294083D+01 -0.185181D+02
               116           117           118           119           120 
      1   0.132058D+01  0.589216D+01  0.144093D+01 -0.102685D+01  0.112708D+01
      2  -0.218101D+01  0.271694D+01  0.397018D+01 -0.129699D+01  0.589640D+01
      3  -0.103494D+02 -0.445546D+01  0.950438D+01 -0.732197D+01  0.416500D-01
               121           122           123           124           125 
      1  -0.121690D+01  0.171410D+01 -0.292632D+01  0.110727D+01 -0.126963D+00
      2  -0.157997D+01  0.517553D+01 -0.570187D+01  0.318060D+01 -0.388352D+01
      3   0.136270D-01  0.185159D+02 -0.455923D+01 -0.128962D+01 -0.647934D+01
               126           127           128           129           130 
      1   0.650361D+00 -0.258957D+01  0.338234D+01 -0.880975D+00  0.143135D+01
      2   0.265322D+01 -0.423427D+01  0.376533D+01 -0.610654D+01  0.384507D+01
      3   0.257272D+01 -0.482919D+01  0.462166D+01 -0.218867D+01  0.377072D+01
               131           132           133           134           135 
      1  -0.906586D+01  0.349066D+01 -0.348699D+00  0.549788D+01 -0.295613D+01
      2  -0.101843D+02  0.105930D+02 -0.268695D+01  0.508241D+01 -0.903750D+01
      3  -0.135467D+02  0.909411D+01 -0.155354D+00  0.615736D+01 -0.531126D+01
               136           137           138           139           140 
      1  -0.264035D+01 -0.294442D+01  0.727606D+00 -0.229688D+01 -0.109162D+01
      2   0.974787D+01  0.954603D+00  0.838197D+01  0.824715D+00 -0.884458D+00
      3  -0.759301D+01 -0.675527D+01  0.978917D+00 -0.386682D+01 -0.116391D+01
               141           142           143           144           145 
      1   0.362176D+00 -0.755288D-01  0.150075D+01 -0.323513D+00  0.168580D+01
      2   0.112194D+01  0.858309D+00  0.103096D+01  0.291054D+00 -0.387701D+01
      3   0.235287D+01 -0.507301D+00  0.298564D+01 -0.130111D+01  0.303309D+01
               146           147           148           149           150 
      1   0.322170D+01  0.129415D+00  0.179008D+01  0.796023D+01  0.262288D+01
      2  -0.399326D+01 -0.666711D+01 -0.235877D+01 -0.127607D+02 -0.135715D+02
      3   0.453616D+01  0.252321D+01  0.362488D+01  0.142894D+02  0.106761D+02
               151           152           153           154           155 
      1  -0.499272D+00  0.550176D+01  0.270879D+01  0.413720D+01 -0.351210D+00
      2  -0.342311D+01 -0.881213D+01 -0.138967D+02 -0.112676D+02 -0.129884D+01
      3  -0.596915D+00  0.811260D+01  0.815638D+01 -0.758249D+01 -0.207488D+02
               156           157           158           159           160 
      1  -0.739390D+01  0.695098D+01  0.452047D+01 -0.559255D+01 -0.374567D+01
      2   0.192817D+02 -0.248945D+01 -0.532968D+01  0.133598D+02  0.474429D+01
      3  -0.616688D+00 -0.176882D+02 -0.276024D+02  0.136440D+01  0.477265D+01
               161           162           163           164           165 
      1   0.105663D+01  0.269739D+01  0.648175D+01  0.312708D+01 -0.384343D+01
      2   0.370315D+01 -0.107257D+02 -0.121717D+02 -0.650871D+01  0.329852D+01
      3   0.712206D+01 -0.279132D+01 -0.980170D+01 -0.465026D+01  0.158648D+01
               166           167           168           169           170 
      1   0.896507D+01  0.554461D+01  0.326430D+00 -0.270588D+01  0.670954D+01
      2  -0.117785D+02  0.457126D+01  0.974126D+01 -0.150198D+01  0.494885D+01
      3  -0.104606D+01 -0.646866D+01 -0.100141D+02  0.687385D+01 -0.189679D+01
               171           172           173           174           175 
      1  -0.459597D+01 -0.856739D+01 -0.417660D+01  0.144560D+01 -0.103968D+02
      2   0.225645D+02  0.210478D+02  0.483234D+01 -0.772266D+01  0.110803D+02
      3  -0.455839D+01  0.220832D+01  0.330417D+01  0.286482D+01  0.101384D+02
               176           177           178           179           180 
      1  -0.431037D+01 -0.104677D+01  0.980687D+00  0.345220D+00 -0.126499D+01
      2   0.442169D+01 -0.540643D+01 -0.335927D+01 -0.126828D+01  0.642231D+01
      3   0.173469D+01  0.111253D+01  0.244233D+01  0.122960D+01  0.410072D+00
               181           182           183           184           185 
      1   0.120155D+00  0.366181D+01  0.547288D+01  0.226526D+01  0.526113D+00
      2  -0.626203D+01  0.236295D+01  0.736704D+01 -0.469856D+01 -0.625265D+01
      3  -0.242198D+02  0.648176D+01 -0.240172D+01 -0.225368D+02 -0.796662D+01
               186           187           188           189           190 
      1  -0.217711D+01  0.111764D+02  0.410249D+01 -0.220652D+01 -0.128790D+01
      2  -0.210885D+01 -0.486727D+01 -0.105019D+02  0.290402D+01 -0.415890D+01
      3   0.441419D+01  0.772490D+01  0.430896D+01 -0.838456D+00  0.803471D+01
               191           192           193           194           195 
      1   0.286446D+01 -0.292070D+01  0.328600D+01  0.156889D+01  0.269730D+01
      2   0.578105D+01 -0.917387D+00  0.123619D+02 -0.229249D+01 -0.830481D+00
      3   0.178442D+02 -0.442582D+01  0.459364D+02 -0.934199D+01  0.365032D+00
               196           197           198           199           200 
      1   0.193492D+00  0.142937D+02 -0.419801D+01 -0.369753D+00 -0.289786D+01
      2  -0.141108D+01  0.299535D+01 -0.849839D+00 -0.188654D+01 -0.677955D+01
      3  -0.118611D+02  0.317918D+00  0.401472D+01 -0.319404D+02 -0.271800D+02
               201           202           203           204           205 
      1   0.105400D+01 -0.296365D+01  0.195953D+01 -0.333152D+01 -0.834477D+01
      2   0.506020D+01 -0.541511D+01  0.935905D+01  0.183656D+01 -0.150931D+02
      3   0.713240D+01  0.724738D+01  0.118089D+02 -0.613531D+01  0.437833D+01
               206           207           208           209           210 
      1   0.309522D+01  0.631534D+00  0.147107D+01 -0.264190D+01  0.402291D+01
      2   0.160538D+02 -0.639651D+01  0.265959D+01 -0.777697D+01  0.159307D+02
      3  -0.770022D+01 -0.633737D+01  0.334519D+01 -0.445107D+02  0.675649D+01
               211           212           213           214           215 
      1   0.247350D+00 -0.203737D+01 -0.541287D+01  0.168610D+01 -0.162268D+01
      2  -0.334350D+01 -0.262810D+01 -0.624160D+01 -0.473562D+01  0.300382D+01
      3  -0.789149D+01 -0.334754D+01  0.262941D+01  0.273972D+01  0.269042D+01
               216           217           218           219           220 
      1   0.143558D+01  0.442883D+00  0.111325D+01 -0.119632D+01 -0.142415D+01
      2  -0.328784D+00  0.703944D+01  0.389773D+01 -0.177362D+01  0.476618D+01
      3  -0.361233D+01  0.338476D+02  0.461577D+01 -0.527041D+01  0.248620D+02
               221           222           223           224           225 
      1   0.292871D+01  0.755021D+01 -0.137864D+02  0.983981D+01 -0.468184D+01
      2   0.930878D+01  0.350956D+02 -0.197466D+02  0.272927D+02 -0.221304D+02
      3  -0.340349D+02 -0.109026D+02 -0.504533D+01 -0.797816D+01 -0.268255D+02
               226           227           228           229           230 
      1   0.135089D+00 -0.324391D+00 -0.159356D+01 -0.144978D-01 -0.857346D+00
      2   0.212477D+01  0.164193D+01 -0.213177D+00  0.144351D+01  0.428272D+01
      3   0.808782D+01  0.521971D+01 -0.177950D+01  0.581874D+01  0.168013D+02
               231           232           233           234           235 
      1  -0.430251D+01  0.642841D+00  0.309993D+01  0.347343D+00 -0.934143D+00
      2  -0.139697D+01 -0.722318D+00 -0.112851D+01  0.174495D+00 -0.224177D+01
      3  -0.427890D+01 -0.196158D+01 -0.460282D+01  0.713708D+00 -0.474692D+01
               236           237           238           239           240 
      1   0.715953D+00  0.163447D+01 -0.287087D+00 -0.603938D+00 -0.305594D+01
      2  -0.191694D+00  0.152345D+01 -0.111158D+01  0.170877D+01 -0.342401D+01
      3  -0.435295D+01  0.988956D+00 -0.399453D+01  0.131482D+02 -0.172429D+01
               241           242           243           244           245 
      1  -0.269175D+01  0.155296D+01  0.519858D+00  0.109036D+00 -0.184951D+00
      2  -0.256237D+01 -0.148693D+00  0.120636D+01 -0.128234D+01 -0.107508D+01
      3   0.219753D+01 -0.274190D+01  0.144091D+01 -0.403055D+01 -0.439550D+01
               246           247           248           249           250 
      1  -0.159505D+01  0.219472D+00 -0.384140D+00 -0.377718D+01 -0.411837D-01
      2   0.236384D+01 -0.129968D+01 -0.394797D+01  0.463798D+01 -0.167031D+01
      3   0.932151D+00 -0.175845D+01 -0.171173D+02  0.369404D+01  0.116600D+01
               251           252           253           254           255 
      1   0.193557D+01  0.608842D+00  0.549315D+00 -0.300874D+00 -0.132615D+01
      2   0.639595D+00 -0.992313D+00 -0.541610D+01 -0.572016D+00 -0.233131D+01
      3   0.446117D+01 -0.568852D+00  0.224511D+01  0.290936D+01  0.131448D+01
               256           257           258           259           260 
      1   0.174462D+01 -0.190793D+01 -0.521928D+01  0.319302D+01 -0.130121D+01
      2   0.570906D+01 -0.143003D+02 -0.166077D+02  0.919792D+01 -0.166657D+02
      3  -0.130010D+02  0.342971D+02  0.156669D+02 -0.708878D+01  0.196779D+02
               261           262           263           264           265 
      1  -0.471580D+01  0.425161D-01 -0.245690D+00 -0.533090D+00 -0.959977D+00
      2  -0.162592D+02  0.763487D+01 -0.169072D+01  0.275250D+00 -0.602606D+01
      3   0.168892D+02  0.202912D+00  0.838465D+00  0.851721D+00 -0.770768D+01
               266           267           268           269           270 
      1   0.109737D+01 -0.348581D+01  0.501741D+01 -0.171716D+00  0.815543D+01
      2   0.822436D+01 -0.138553D+02  0.171853D+02 -0.166564D+02  0.390064D+02
      3   0.142040D+02 -0.852187D+01  0.751434D+01 -0.137365D+02  0.162884D+02
               271           272           273           274           275 
      1  -0.104025D+01 -0.410369D+00  0.586048D+00 -0.175835D+00 -0.506216D+00
      2  -0.654949D+01 -0.652792D+00  0.100209D+02 -0.175930D+01 -0.202587D+01
      3  -0.210693D+02 -0.107302D+02  0.167813D+01 -0.115003D+02 -0.780483D+01
               276           277           278           279 
      1  -0.648024D+00  0.175898D+01  0.129894D+00  0.341162D-01
      2   0.261699D+01  0.820133D+01 -0.105459D+01 -0.135273D+01
      3   0.244070D+01  0.234391D+01  0.321908D+01  0.437346D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.968887D+02  0.553493D+02 -0.913003D+01 -0.815418D+02 -0.257362D+01
      2   0.523962D+02 -0.350336D+02  0.586885D+01  0.460792D+02  0.365751D+01
      3   0.444925D+02 -0.203157D+02  0.326118D+01  0.354626D+02 -0.108389D+01
      4   0.567454D+02 -0.637472D+01 -0.110694D+01 -0.610718D+01 -0.368768D+01
      5  -0.180373D+02  0.775155D+00  0.139369D+01 -0.261222D+01  0.303619D+01
      6   0.156774D+01  0.135744D+01  0.541969D+00  0.216806D+01 -0.290027D+01
                 6             7             8             9            10 
      1   0.267465D+01  0.258344D+02 -0.521698D+01 -0.103192D+02  0.112443D+03
      2  -0.380055D+01 -0.126365D+02  0.248508D+01 -0.870303D+00 -0.539583D+02
      3   0.112589D+01 -0.131979D+02  0.273190D+01  0.111895D+02 -0.584847D+02
      4   0.169681D+01 -0.201983D+01  0.139758D+01  0.780650D+00 -0.280201D+02
      5   0.302125D+00  0.204036D+01 -0.194088D+01  0.398276D+00  0.873127D+01
      6   0.976848D+00  0.161409D+01  0.352457D+01  0.176646D+01 -0.660816D+01
                11            12            13            14            15 
      1  -0.150556D+02 -0.427201D+01  0.832975D+02 -0.322858D+02  0.121328D+01
      2   0.893644D+01  0.122788D+01 -0.398259D+02  0.277613D+02 -0.540415D+01
      3   0.611920D+01  0.304413D+01 -0.434716D+02  0.452444D+01  0.419087D+01
      4   0.494081D+01 -0.189438D+01 -0.163217D+02  0.158837D+02 -0.238770D+01
      5  -0.658788D+01 -0.831191D+01  0.801479D+01 -0.315594D+01  0.227237D+00
      6   0.180033D+01  0.119352D+01 -0.263316D+01 -0.356733D+01 -0.427826D+00
                16            17            18            19            20 
      1  -0.279453D+02  0.693459D+01 -0.876808D+01  0.604592D+02 -0.600406D+02
      2   0.144078D+02 -0.559163D+01  0.392571D+00 -0.337693D+02  0.436135D+02
      3   0.135375D+02 -0.134296D+01  0.837551D+01 -0.266900D+02  0.164272D+02
      4   0.641415D+01 -0.263052D+01  0.372752D+01 -0.520743D+02  0.469043D+01
      5  -0.280652D+01  0.395844D+01  0.367587D+00  0.192213D+02 -0.104762D+01
      6   0.455721D+01  0.551108D+01  0.149286D+01 -0.209841D+01 -0.187114D+01
                21            22            23            24            25 
      1   0.110338D+02  0.457305D+01  0.351156D+02 -0.804857D+01 -0.468099D+01
      2  -0.775161D+01 -0.142783D+02 -0.346119D+02  0.849590D+01  0.664657D+01
      3  -0.328221D+01  0.970524D+01 -0.503737D+00 -0.447325D+00 -0.196557D+01
      4   0.797121D-02  0.236772D+02 -0.595905D+01  0.455823D+01 -0.394164D+01
      5  -0.453247D+01 -0.927041D+01  0.614062D+01  0.636242D+01  0.433739D+01
      6   0.158757D+01  0.928661D+01  0.884103D+01  0.927479D+00  0.163286D+01
                26            27            28            29            30 
      1  -0.450913D+01 -0.607323D+01  0.377054D+01  0.832486D+01  0.114687D+01
      2   0.812790D+01 -0.811096D+01 -0.185336D+02 -0.999268D+01 -0.670603D-01
      3  -0.361877D+01  0.141842D+02  0.147631D+02  0.166782D+01 -0.107980D+01
      4   0.623756D+01  0.250939D+01  0.206606D+02  0.111855D+02  0.277743D+00
      5   0.896061D+01 -0.292638D+01 -0.193401D+02  0.270678D+01  0.897727D+01
      6   0.357942D+01  0.101312D+01  0.117864D+02  0.448261D-01 -0.316468D+01
                31            32            33            34            35 
      1   0.233753D+02 -0.738256D+02  0.133970D+02 -0.806730D+01  0.163419D+02
      2  -0.173652D+02  0.685242D+02 -0.170668D+02  0.320515D+01 -0.164126D+02
      3  -0.601012D+01  0.530133D+01  0.366979D+01  0.486215D+01  0.706760D-01
      4  -0.385716D+02  0.226263D+01  0.224278D+01  0.201989D+02  0.195001D+01
      5   0.147857D+02  0.135111D+01 -0.157583D+01  0.324969D+02 -0.514049D+01
      6   0.121584D+01 -0.996638D+01  0.223581D+00 -0.609159D+01  0.730080D+01
                36            37            38            39            40 
      1  -0.282317D+01 -0.525014D+01  0.732707D+02 -0.177587D+02 -0.185341D+02
      2  -0.470986D+01  0.613792D+00 -0.604436D+02  0.963782D+01  0.215169D+02
      3   0.753304D+01  0.463635D+01 -0.128272D+02  0.812084D+01 -0.298278D+01
      4   0.243963D+01  0.317718D+01 -0.204040D+02  0.366510D+01  0.101190D+02
      5  -0.109257D-01 -0.251817D+00 -0.150769D+00  0.500394D+01  0.570590D+01
      6   0.521158D+01 -0.328466D+01  0.630915D+01 -0.139831D+02 -0.136631D+02
                41            42            43            44            45 
      1   0.341509D+02 -0.119739D+02  0.709246D+01 -0.172067D+02 -0.105612D+02
      2  -0.347002D+02  0.103560D+02 -0.137266D+02  0.196064D+02  0.130695D+01
      3   0.549307D+00  0.161790D+01  0.663419D+01 -0.239968D+01  0.925427D+01
      4   0.900037D+01 -0.784721D+01  0.467283D+01 -0.621118D+01 -0.839308D+01
      5  -0.888046D+01 -0.511020D+01  0.211885D+02 -0.685656D+01  0.445904D+01
      6   0.107367D+02  0.211562D+01 -0.190249D+02  0.131755D+02  0.552821D+00
                46            47            48            49            50 
      1   0.537054D+01 -0.514406D+02  0.100873D+02  0.236097D+02 -0.250520D+01
      2  -0.546523D+01  0.446293D+02 -0.423980D+01 -0.196688D+02 -0.452862D+01
      3   0.946834D-01  0.681128D+01 -0.584750D+01 -0.394094D+01  0.703383D+01
      4   0.957600D+01 -0.490620D+01  0.179869D+01 -0.212338D+01 -0.112159D+02
      5  -0.859682D+00  0.554037D+01 -0.230271D+01  0.100623D+01  0.270552D+01
      6   0.444927D+01 -0.157926D+01  0.107128D+02  0.395909D+01  0.140604D+02
                51            52            53            54            55 
      1  -0.741296D+01 -0.634413D+01 -0.345925D+01 -0.239623D+02  0.101864D+02
      2   0.958047D+01  0.762319D+01  0.142787D+02  0.101420D+02 -0.742777D+01
      3  -0.216751D+01 -0.127906D+01 -0.108195D+02  0.138203D+02 -0.275868D+01
      4   0.539037D+01  0.240042D+01  0.729300D+01  0.539456D+01 -0.375850D+02
      5   0.291500D+00  0.493260D+01  0.658961D+00  0.896699D-02  0.697660D+01
      6   0.385831D+01  0.304541D+01  0.228744D+02 -0.806719D+01  0.309311D+01
                56            57            58            59            60 
      1  -0.563010D+02  0.109234D+02 -0.102891D+01  0.256892D+02 -0.116055D+02
      2   0.360611D+02 -0.259043D+01 -0.395645D+01 -0.204342D+02  0.100468D+02
      3   0.202399D+02 -0.833298D+01  0.498536D+01 -0.525502D+01  0.155877D+01
      4  -0.284343D+02  0.624595D+01  0.329887D+02 -0.175930D+02  0.132518D+00
      5   0.727750D+01 -0.145247D+02 -0.838795D+01  0.673103D+00 -0.363250D+00
      6  -0.140814D+00  0.927161D+01  0.274853D+01  0.110168D+02  0.242755D+01
                61            62            63            64            65 
      1  -0.147325D+01 -0.819890D+01 -0.203713D+02  0.289627D+01 -0.114752D+01
      2   0.248969D+01  0.149119D+02  0.311754D+01 -0.903727D+00  0.188847D+01
      3  -0.101644D+01 -0.671305D+01  0.172538D+02 -0.199255D+01 -0.740956D+00
      4  -0.590235D+01  0.237843D+01 -0.964703D+01  0.672060D+01  0.900956D+01
      5   0.157240D+01 -0.116229D+02  0.854712D+01 -0.197185D+01 -0.219551D+01
      6   0.403059D+00  0.159593D+02 -0.529670D+01 -0.136096D+01 -0.121640D+01
                66            67            68            69            70 
      1   0.333597D+00 -0.390026D+01 -0.165737D+02  0.448746D+01  0.544717D+00
      2   0.123608D+00  0.512993D+01  0.179354D+02 -0.190496D+01 -0.307497D-01
      3  -0.457205D+00 -0.122967D+01 -0.136165D+01 -0.258250D+01 -0.513967D+00
      4  -0.165960D+01  0.119771D+02  0.169389D+02 -0.361046D+01 -0.309428D+01
      5   0.282745D+01 -0.359530D+01 -0.377071D+01  0.401634D+01  0.182802D+01
      6   0.116152D+01 -0.276908D+01 -0.672626D+01  0.559723D+01  0.215594D+01
                71            72            73            74            75 
      1   0.306268D+01 -0.376748D+01  0.237993D+01  0.615351D+01 -0.116424D+01
      2  -0.253048D+01  0.246221D+01  0.966670D+01 -0.166279D+02  0.190426D+01
      3  -0.532202D+00  0.130527D+01 -0.120466D+02  0.104744D+02 -0.740020D+00
      4  -0.425602D+01  0.234037D+01 -0.286446D+02  0.254967D+02 -0.386479D+01
      5   0.782870D+00 -0.160593D+01  0.412091D+01 -0.400730D+01  0.428716D+01
      6   0.343752D+01 -0.274115D+01 -0.259964D+01  0.312233D+01 -0.400510D+01
                76            77            78            79            80 
      1   0.101281D+02 -0.223613D+02  0.382309D+01 -0.270799D+01  0.451337D+01
      2  -0.218810D+02  0.389079D+02 -0.466342D+01  0.554942D+01 -0.678377D+01
      3   0.117529D+02 -0.165466D+02  0.840329D+00 -0.284142D+01  0.227041D+01
      4   0.280022D+02 -0.348977D+02  0.550664D+01 -0.532537D+01  0.606500D+01
      5  -0.532956D+01  0.567828D+01 -0.472828D+01  0.713690D+00 -0.283725D+01
      6   0.586038D+01 -0.703865D+01  0.725265D+01  0.613163D+00  0.387579D+01
                81            82            83            84            85 
      1  -0.133646D+01 -0.669751D+01 -0.117946D+02  0.333239D+01 -0.840952D+01
      2   0.232999D+01  0.965905D+01  0.171437D+02 -0.335852D+01  0.111126D+02
      3  -0.993532D+00 -0.296153D+01 -0.534912D+01  0.261234D-01 -0.270313D+01
      4  -0.301893D+01  0.874888D+01  0.170206D+02 -0.374549D+01  0.101945D+02
      5   0.176538D+01 -0.145004D+01 -0.251444D+01  0.291256D+01 -0.175019D+01
      6  -0.258733D+01 -0.307221D+01 -0.503708D+01  0.382866D+01 -0.315864D+01
                86            87            88            89            90 
      1  -0.500337D+02  0.121237D+02  0.236758D+01  0.128011D+02 -0.435265D+01
      2   0.679394D+02 -0.128266D+02 -0.339560D+01 -0.159836D+02  0.447380D+01
      3  -0.179056D+02  0.702915D+00  0.102802D+01  0.318256D+01 -0.121158D+00
      4   0.223706D+02 -0.473915D+01 -0.337896D+01 -0.526098D+01  0.277270D+01
      5  -0.232787D+01  0.201375D+01  0.889646D+00  0.253618D+01 -0.144234D+01
      6  -0.172205D+02  0.119114D+02  0.591861D+00  0.672754D+01 -0.429381D+01
                91            92            93            94            95 
      1  -0.584308D+01  0.438448D+01 -0.153319D+02  0.624857D+00 -0.719991D+01
      2   0.912826D+01  0.891277D+00  0.146339D+01  0.629831D+01 -0.387963D+01
      3  -0.328518D+01 -0.527576D+01  0.138685D+02 -0.692317D+01  0.110795D+02
      4  -0.699053D+01 -0.168203D+02 -0.285316D+01 -0.207575D+02  0.309680D+02
      5   0.535089D+00 -0.423605D+01 -0.178221D+02  0.156518D+01 -0.162614D+02
      6  -0.499283D+01  0.974204D+00  0.107374D+01 -0.485329D+01  0.425531D+01
                96            97            98            99           100 
      1  -0.129388D+01 -0.186602D-01 -0.294703D+01 -0.188697D+02 -0.740822D+02
      2   0.111030D+01 -0.151280D+02  0.789908D+01  0.171810D+02  0.432648D+02
      3   0.183577D+00  0.151467D+02 -0.495205D+01  0.168868D+01  0.308174D+02
      4  -0.185105D+02 -0.724801D+01 -0.203359D+02 -0.361816D+01  0.323629D+01
      5  -0.114163D+01 -0.610826D+02  0.336706D+01  0.147846D+02  0.414559D+02
      6   0.417127D+01  0.210977D+01 -0.180495D+01 -0.132993D+01  0.139976D+00
               101           102           103           104           105 
      1  -0.922953D+00  0.294934D+02 -0.830926D+01  0.335077D+02  0.653018D+01
      2   0.200829D+00 -0.908971D+01  0.195711D+01 -0.728341D+01 -0.229188D+01
      3   0.722123D+00 -0.204037D+02  0.635215D+01 -0.262243D+02 -0.423830D+01
      4   0.208520D+02  0.934283D+00  0.200393D+02 -0.333771D+01  0.251171D+02
      5   0.258489D+01  0.833202D+01  0.526267D+01  0.163775D+02  0.293691D+01
      6  -0.122219D+02 -0.125774D+01 -0.676864D+01 -0.207949D+01 -0.204864D+02
               106           107           108           109           110 
      1   0.634532D+01  0.466854D+01  0.168469D+02 -0.607024D+02 -0.245402D+02
      2   0.146810D+02 -0.397209D+01 -0.212669D+02  0.194294D+02  0.138761D+01
      3  -0.210263D+02 -0.696453D+00  0.441999D+01  0.412730D+02  0.231526D+02
      4  -0.540740D+00  0.215469D+02  0.161904D+01 -0.461356D+02 -0.290708D+02
      5   0.372448D+02 -0.123930D+01 -0.271583D+02  0.915844D+01 -0.798252D+00
      6  -0.228997D+01 -0.147888D+02 -0.431238D+01  0.311196D+00  0.381230D+01
               111           112           113           114           115 
      1   0.401490D+01 -0.348879D+02 -0.155921D+02  0.121549D+02  0.384825D+02
      2  -0.404250D+01  0.738234D+01  0.220150D+01 -0.104874D+00 -0.145250D+02
      3   0.275970D-01  0.275055D+02  0.133906D+02 -0.120500D+02 -0.239575D+02
      4   0.200552D+01 -0.154362D+02 -0.257538D+02  0.105675D+02  0.249031D+02
      5  -0.181757D+01  0.766729D+00  0.743479D+01 -0.833386D+01  0.212064D+02
      6  -0.487695D+01  0.504859D+01 -0.182036D+01 -0.122415D+01  0.464047D+01
               116           117           118           119           120 
      1   0.954643D+01  0.234574D+02  0.146703D+02 -0.117189D+02  0.622784D+01
      2  -0.120891D+01 -0.140714D+01 -0.164912D+01  0.194582D+01 -0.163691D+01
      3  -0.833753D+01 -0.220503D+02 -0.130212D+02  0.977309D+01 -0.459093D+01
      4   0.219279D+02  0.704462D+01 -0.237172D+02  0.231252D+02 -0.191931D+01
      5   0.388711D+01 -0.342302D+00  0.785597D+01 -0.158630D+01  0.116714D+02
      6  -0.890753D+00 -0.231862D+01 -0.218668D+01  0.125377D+01 -0.108113D+01
               121           122           123           124           125 
      1  -0.202340D+02  0.355783D+01 -0.103263D+01  0.915611D+01  0.657174D+00
      2   0.581953D+01  0.122197D+02 -0.273576D+01 -0.358501D+01 -0.374098D+01
      3   0.144144D+02 -0.157775D+02  0.376839D+01 -0.557110D+01  0.308381D+01
      4   0.234471D+02 -0.441946D+02  0.984048D+01 -0.414713D+01  0.143862D+02
      5  -0.234376D+01  0.908358D+01 -0.113790D+02  0.134805D+02 -0.885038D+01
      6   0.118517D+01 -0.367227D+01  0.451288D+01 -0.258893D+01  0.634394D+01
               126           127           128           129           130 
      1   0.376034D+01 -0.181478D+01  0.761421D+01 -0.109552D+02  0.117705D+02
      2  -0.199484D+01  0.773147D+00 -0.298626D+01 -0.284476D+00 -0.732616D+01
      3  -0.176550D+01  0.104164D+01 -0.462795D+01  0.112396D+02 -0.444437D+01
      4  -0.943053D+01  0.338928D+01 -0.645426D+01  0.256290D+01 -0.726047D-01
      5   0.596264D+01 -0.392450D-01 -0.666787D-01 -0.636163D+01 -0.905925D+01
      6  -0.339303D+01 -0.339087D+01  0.590132D+01 -0.299921D+01  0.114172D+01
               131           132           133           134           135 
      1  -0.169349D+02  0.114972D+02 -0.550790D+01  0.674748D+01 -0.138959D+02
      2   0.560220D+01  0.354781D+01  0.166929D+01  0.153393D+01 -0.237542D+01
      3   0.113327D+02 -0.150450D+02  0.383861D+01 -0.828141D+01  0.162713D+02
      4   0.225371D+02 -0.148866D+02 -0.374577D-02 -0.110794D+02  0.848481D+01
      5  -0.107590D+02  0.172791D+02  0.290745D+01  0.629569D+01 -0.110458D+02
      6  -0.166602D+02  0.136950D+02 -0.245122D+00  0.111520D+02 -0.795420D+01
               136           137           138           139           140 
      1   0.111445D+03 -0.161425D+01 -0.206760D+02  0.241584D+01  0.518654D+01
      2  -0.677263D+02  0.711566D+00  0.198266D+02 -0.245152D+01 -0.367962D+01
      3  -0.437184D+02  0.902687D+00  0.849315D+00  0.356710D-01 -0.150692D+01
      4  -0.619436D+01  0.121206D+02  0.275310D+01  0.132567D+02  0.168403D+00
      5  -0.660011D+02  0.221855D+01  0.322334D+02 -0.233172D+01 -0.640606D+01
      6   0.306636D+01 -0.432807D+01 -0.176553D+01 -0.381941D+01 -0.888180D-01
               141           142           143           144           145 
      1  -0.861688D+00 -0.875059D+01 -0.153517D+01  0.824079D+01  0.783917D+00
      2   0.147640D+01  0.908494D+01  0.587099D+00 -0.724871D+01 -0.999374D+00
      3  -0.614709D+00 -0.334348D+00  0.948067D+00 -0.992086D+00  0.215457D+00
      4  -0.535801D+01 -0.837987D+00 -0.390568D+01  0.409999D+00 -0.308013D+01
      5   0.212641D+01  0.179421D+02  0.113977D+01 -0.854172D+01 -0.296842D+01
      6   0.414090D+01 -0.573380D-01  0.301138D+01  0.492115D+00  0.342749D+01
               146           147           148           149           150 
      1  -0.902548D+01 -0.131069D+02 -0.883684D+01 -0.202944D+02 -0.162353D+02
      2   0.366615D+01  0.152578D+01  0.602748D+01  0.957465D+01 -0.417806D+00
      3   0.535933D+01  0.115811D+02  0.280936D+01  0.107198D+02  0.166531D+02
      4  -0.508565D+01 -0.281676D+01  0.412899D+01 -0.260710D+02 -0.208296D+02
      5  -0.568030D+00 -0.518000D+01  0.926055D+01 -0.166069D+02 -0.223867D+02
      6   0.672154D+01  0.516424D+01 -0.846875D+00  0.219151D+02  0.203337D+02
               151           152           153           154           155 
      1  -0.540065D+01 -0.111974D+02 -0.199462D+02  0.146628D+03  0.384616D+02
      2   0.288763D+01 -0.106717D+00 -0.280337D+01 -0.611387D+02 -0.899696D+01
      3   0.251302D+01  0.113041D+02  0.227496D+02 -0.854893D+02 -0.294646D+02
      4   0.294846D+01 -0.151298D+02 -0.145127D+02  0.718087D+02  0.481547D+02
      5   0.513590D+01 -0.126710D+02 -0.201920D+02  0.210161D+01  0.470922D+01
      6  -0.443781D+00  0.156581D+02  0.161676D+02 -0.147353D+01 -0.631270D+00
               156           157           158           159           160 
      1  -0.939952D+01  0.483994D+02  0.311106D+02 -0.611465D+01 -0.125047D+02
      2   0.195892D+01 -0.647477D+01  0.551343D+01 -0.708003D+00  0.234180D+01
      3   0.744061D+01 -0.419246D+02 -0.366240D+02  0.682265D+01  0.101629D+02
      4   0.517968D+00  0.677656D+02  0.629864D+02 -0.801537D+01 -0.999057D+01
      5   0.302107D+02 -0.298863D+01 -0.296673D+01  0.183459D+02  0.277664D+02
      6   0.777480D+01  0.698572D+00  0.814074D+00  0.882220D+01  0.869632D+01
               161           162           163           164           165 
      1  -0.394983D+01  0.144727D+02  0.392083D+02  0.162490D+02  0.104021D+02
      2  -0.256125D+01 -0.768918D+01 -0.232290D+02 -0.511119D+01 -0.817374D+01
      3   0.651108D+01 -0.678355D+01 -0.159793D+02 -0.111378D+02 -0.222841D+01
      4  -0.148235D+02  0.132647D+02  0.321957D+02  0.160738D+02  0.246858D+01
      5   0.118545D+02 -0.133187D+02  0.222467D+02  0.347648D+01  0.181268D+02
      6   0.711531D+01 -0.263427D+01  0.118002D+02  0.197447D+01  0.104587D+01
               166           167           168           169           170 
      1   0.215972D+02 -0.472960D+01 -0.129224D+02 -0.120656D+02 -0.103819D+02
      2  -0.102077D+02  0.443877D+01  0.333908D+01  0.251341D+00  0.267109D+01
      3  -0.113895D+02  0.290833D+00  0.958335D+01  0.118142D+02  0.771082D+01
      4   0.186579D+02  0.112911D+02  0.114927D+02 -0.816715D+01  0.261557D+00
      5   0.111131D+02  0.132475D+02  0.137312D+02  0.152049D+02  0.560617D+01
      6   0.390047D+01  0.942049D+01  0.133550D+02  0.100271D+00  0.107185D+02
               171           172           173           174           175 
      1  -0.288456D+02 -0.393903D+02 -0.892410D+01  0.113137D+02 -0.217750D+02
      2  -0.149873D+02  0.194205D+02  0.281810D+01  0.232043D+01  0.127167D+02
      3   0.438328D+02  0.199699D+02  0.610600D+01 -0.136341D+02  0.905826D+01
      4   0.317438D+01 -0.260829D+02 -0.118385D+02 -0.159740D+01 -0.176891D+02
      5   0.457547D+02 -0.154224D+02 -0.534378D+01 -0.136949D+02 -0.113694D+02
      6   0.132480D+02 -0.832581D+01 -0.528481D+01 -0.392130D+01 -0.527890D+01
               176           177           178           179           180 
      1  -0.107049D+02  0.382880D+01  0.124477D+01  0.130440D+01 -0.112127D+02
      2   0.500128D+01  0.337702D+01  0.489707D+01  0.375937D+00  0.157444D+01
      3   0.570357D+01 -0.720582D+01 -0.614184D+01 -0.168033D+01  0.963831D+01
      4  -0.703448D+01  0.104576D+01 -0.559200D+01 -0.397467D+00 -0.475204D+01
      5  -0.179755D+00 -0.107351D+02 -0.517044D+01 -0.191174D+01  0.367337D+01
      6  -0.302067D+01  0.114751D+01 -0.288860D+01  0.178026D+01 -0.152292D+01
               181           182           183           184           185 
      1  -0.148767D+01  0.587666D+02 -0.131491D+02 -0.749262D+02  0.283027D+02
      2  -0.947120D+00 -0.391483D+02  0.318912D+01  0.477974D+02 -0.220240D+02
      3   0.243479D+01 -0.196183D+02  0.995998D+01  0.271288D+02 -0.627867D+01
      4   0.297674D+02  0.359781D+02 -0.881746D+01  0.305841D+02  0.193492D+02
      5  -0.325557D+01 -0.108165D+02  0.188084D+02  0.110285D+00 -0.128205D+02
      6  -0.271611D+01  0.453617D+01 -0.116548D+02 -0.992510D+01  0.831168D+01
               186           187           188           189           190 
      1  -0.360025D+01  0.205398D+02 -0.126550D+02  0.104224D+01  0.122736D+03
      2   0.372438D+01 -0.208808D+02  0.129935D+02 -0.767485D+01 -0.693002D+02
      3  -0.124125D+00  0.341060D+00 -0.338488D+00  0.663260D+01 -0.534355D+02
      4  -0.128794D+02 -0.523135D+01 -0.152578D+02 -0.131052D+02 -0.190225D+02
      5  -0.546419D+01  0.270713D+02 -0.150136D+02  0.946013D+01  0.841501D+01
      6   0.365693D+01 -0.131848D+02  0.973658D+01  0.115616D+01  0.162155D+01
               191           192           193           194           195 
      1  -0.399581D+02  0.390026D+01 -0.364714D+01 -0.180044D+02  0.107262D+02
      2   0.267490D+02 -0.226063D+01 -0.177368D+01  0.215948D+02 -0.128240D+02
      3   0.132091D+02 -0.163964D+01  0.542082D+01 -0.359044D+01  0.209784D+01
      4   0.270495D+02 -0.494512D+01 -0.171256D+02 -0.550883D+02  0.134289D+02
      5  -0.598746D+01  0.346309D+01  0.155149D+02  0.132704D+02 -0.479095D+01
      6   0.592369D-01  0.526968D+01  0.500509D+01 -0.874013D+01 -0.133214D+01
               196           197           198           199           200 
      1  -0.351546D+00  0.122953D+02  0.229157D+02 -0.120461D+03  0.208222D+02
      2   0.127252D+01 -0.102959D+02 -0.200526D+02  0.588427D+02 -0.108069D+02
      3  -0.920977D+00 -0.199936D+01 -0.286309D+01  0.616180D+02 -0.100152D+02
      4   0.176065D+02  0.887402D+01 -0.617860D+01  0.253507D+02 -0.326777D+02
      5   0.477374D+02 -0.116638D+02  0.128533D+01 -0.568557D+01  0.136633D+02
      6  -0.210431D+01  0.700731D+01  0.378077D+01  0.650067D+01 -0.745530D+00
               201           202           203           204           205 
      1   0.142850D+01  0.959784D+02 -0.197969D+02 -0.412185D+01 -0.160043D+02
      2  -0.590081D+00 -0.603183D+02  0.276560D+01  0.550327D+01  0.132180D+02
      3  -0.838417D+00 -0.356600D+02  0.170313D+02 -0.138142D+01  0.278625D+01
      4   0.986253D+01 -0.174457D+02  0.258739D+02  0.383512D+01  0.612500D+01
      5   0.227869D+01  0.461399D+01  0.296543D+01  0.755690D+01  0.520919D+01
      6  -0.124348D+00  0.607944D+01  0.109325D+02  0.319463D+01  0.288470D+01
               206           207           208           209           210 
      1   0.174539D+01 -0.162554D+02  0.219877D+02  0.307460D+02 -0.540626D+01
      2   0.669722D+01 -0.136510D+01 -0.134519D+02 -0.199569D+02  0.218256D+01
      3  -0.844261D+01  0.176205D+02 -0.853588D+01 -0.107892D+02  0.322370D+01
      4   0.100661D+02  0.236120D+02  0.212012D+02  0.646937D+01  0.400401D+01
      5   0.244350D+02 -0.132267D+02 -0.663889D+01  0.450720D+01  0.274906D+02
      6   0.123760D+02 -0.116013D+01  0.113769D+01 -0.122024D+01 -0.694767D+01
               211           212           213           214           215 
      1  -0.271830D+01  0.164700D+02 -0.428454D+01  0.951487D+00 -0.470587D+01
      2   0.376007D+01 -0.629538D+01  0.585295D+01  0.101776D+01  0.410945D+01
      3  -0.104176D+01 -0.101746D+02 -0.156841D+01 -0.196925D+01  0.596421D+00
      4   0.442987D+02  0.713626D+01 -0.522228D+01 -0.856328D+01  0.474417D+00
      5  -0.914889D+01 -0.405082D+01 -0.111847D+02  0.144104D+02  0.423651D+01
      6  -0.143903D+01  0.215810D+01  0.850686D+01  0.253239D+01  0.286623D+01
               216           217           218           219           220 
      1   0.492029D+01 -0.702686D+02 -0.422961D+02  0.144925D+02 -0.367236D+02
      2  -0.337944D+01  0.424406D+02  0.212467D+02 -0.734976D+01  0.181655D+02
      3  -0.154085D+01  0.278280D+02  0.210494D+02 -0.714275D+01  0.185580D+02
      4   0.640919D+01 -0.393175D+02  0.134627D+02  0.160040D+01 -0.267686D+02
      5  -0.236280D+01  0.136682D+02  0.190692D+01 -0.673865D+01  0.792322D+01
      6  -0.300572D+01 -0.136955D+01 -0.935262D+00  0.217113D+01  0.345054D+01
               221           222           223           224           225 
      1   0.417617D+01  0.104703D+02  0.107742D+02  0.865594D+01 -0.142669D+01
      2  -0.674053D+01 -0.129803D+02  0.197992D+00 -0.109432D+02  0.230798D-01
      3   0.256437D+01  0.251004D+01 -0.109722D+02  0.228728D+01  0.140361D+01
      4   0.352292D+02  0.226023D+02  0.695483D+01  0.155353D+02  0.435851D+02
      5   0.226154D+02  0.678554D+02 -0.304825D+02  0.476906D+02 -0.414037D+02
      6  -0.925270D+01 -0.193801D+02  0.134172D+02 -0.151469D+02  0.811997D+01
               226           227           228           229           230 
      1  -0.702119D+01 -0.163077D+02  0.461513D+01 -0.779464D+01 -0.450150D+02
      2   0.689423D+01  0.151005D+02 -0.303906D+01  0.714900D+01  0.506647D+02
      3   0.126957D+00  0.120720D+01 -0.157607D+01  0.645647D+00 -0.564965D+01
      4   0.141276D+00  0.530774D+01 -0.827463D+00  0.287781D+01 -0.961964D+01
      5   0.237670D+00 -0.554364D+00  0.114056D+01 -0.813379D-01  0.376462D+01
      6  -0.227840D+01 -0.426136D+01  0.299743D+01 -0.185234D+01 -0.148077D+02
               231           232           233           234           235 
      1   0.113322D+02  0.239915D+01  0.117114D+02 -0.433676D+01  0.335407D+02
      2  -0.914967D+01 -0.198992D+01 -0.117578D+02  0.358790D+01 -0.113744D+02
      3  -0.218253D+01 -0.409226D+00  0.463946D-01  0.748867D+00 -0.221662D+02
      4   0.260996D+01 -0.156598D+00  0.263248D+01  0.965930D+00 -0.301530D+02
      5  -0.271491D+01  0.173428D+01 -0.246325D+00 -0.103391D+00  0.558938D+01
      6   0.980480D+01  0.650799D+00  0.573978D+01 -0.365602D+01 -0.189971D+01
               236           237           238           239           240 
      1  -0.119844D+02  0.994031D+00 -0.164576D+02  0.352261D+01 -0.761195D+00
      2  -0.479838D+00  0.286943D-01 -0.249633D+01  0.154174D+02 -0.770011D+00
      3   0.124643D+02 -0.102272D+01  0.189540D+02 -0.189400D+02  0.153121D+01
      4   0.251006D+02 -0.370728D+01  0.370309D+02 -0.427831D+02  0.680149D+01
      5  -0.477226D+01  0.380036D+01 -0.892337D+01  0.873912D+01 -0.692711D+01
      6   0.227673D+01 -0.214348D+01  0.536273D+01 -0.641583D+01  0.572671D+01
               241           242           243           244           245 
      1   0.151944D+01 -0.574180D+00 -0.158821D+01  0.397053D+01  0.820588D+01
      2   0.223630D+01 -0.276601D+01  0.152633D+01  0.295588D+01  0.976484D+00
      3  -0.375574D+01  0.334019D+01  0.618786D-01 -0.692641D+01 -0.918237D+01
      4  -0.748893D+01  0.826177D+01 -0.272064D+01  0.245740D+02  0.234143D+02
      5  -0.292703D+00 -0.236961D+01  0.199263D+01 -0.568226D+01 -0.488806D+01
      6   0.830587D-01  0.241795D+01 -0.182648D+01 -0.287776D+01 -0.270010D+01
               246           247           248           249           250 
      1  -0.186808D+01  0.684754D+01 -0.950275D+01  0.224162D+01 -0.175907D+01
      2   0.688404D+00  0.585890D+01  0.241955D+02 -0.301562D+01 -0.328540D+00
      3   0.117968D+01 -0.127064D+02 -0.146927D+02  0.773997D+00  0.208761D+01
      4  -0.591201D+01  0.305996D+02  0.507969D+02 -0.118018D+02 -0.816240D+01
      5   0.551764D+01 -0.656381D+01 -0.100326D+02  0.893698D+01  0.429102D+01
      6   0.289303D+01 -0.458695D+01 -0.873530D+01  0.784203D+01  0.352521D+01
               251           252           253           254           255 
      1   0.160804D+01 -0.123661D+01  0.230623D+01 -0.546152D+01 -0.105368D+02
      2  -0.444150D+01  0.220126D+01 -0.571327D+00  0.311448D+01  0.516439D+01
      3   0.283346D+01 -0.964651D+00 -0.173490D+01  0.234704D+01  0.537238D+01
      4  -0.131950D+02  0.473769D+01 -0.207477D+01 -0.112005D+01  0.166618D+01
      5   0.286202D+01 -0.304020D+01 -0.922438D+01  0.881505D+00 -0.340176D+01
      6   0.413375D+01 -0.355704D+01  0.220176D+01  0.108705D+01  0.217992D+01
               256           257           258           259           260 
      1  -0.224929D+02  0.369756D+01  0.117213D+01 -0.301027D+02  0.281179D+01
      2   0.643511D+01  0.109551D+02  0.408788D+01  0.132538D+02  0.306690D+01
      3   0.160578D+02 -0.146527D+02 -0.526002D+01  0.168489D+02 -0.587869D+01
      4   0.368958D+02 -0.561622D+02 -0.299019D+02  0.226320D+02 -0.331579D+02
      5   0.172651D+02 -0.307310D+02 -0.327037D+02  0.268113D+02 -0.316234D+02
      6  -0.843317D+01  0.142691D+02  0.129824D+02 -0.998169D+01  0.139044D+02
               261           262           263           264           265 
      1   0.169098D+01  0.109391D+02 -0.161676D+01  0.121355D+02 -0.887738D+01
      2  -0.246627D+01 -0.675233D+01  0.980176D+00 -0.514797D+01  0.363121D+01
      3   0.775292D+00 -0.418677D+01  0.636585D+00 -0.698754D+01  0.524617D+01
      4  -0.293469D+02 -0.828526D+00 -0.602051D+00 -0.529062D+01  0.206599D+02
      5  -0.316567D+02  0.132052D+02 -0.455734D+01  0.360689D+01 -0.155288D+02
      6   0.121711D+02 -0.288197D+01  0.930410D+00  0.315207D+00  0.463835D+01
               266           267           268           269           270 
      1   0.413700D+01 -0.573854D+01  0.457643D+02 -0.912219D+01  0.117649D+02
      2   0.419827D+00  0.239144D+01 -0.288907D+02  0.502789D+01 -0.162631D+02
      3  -0.455683D+01  0.334710D+01 -0.168736D+02  0.409430D+01  0.449818D+01
      4  -0.211985D+02  0.152846D+02 -0.239762D+02  0.217160D+02 -0.270486D+02
      5   0.161110D+02 -0.276682D+02  0.484223D+02 -0.306881D+02  0.754100D+02
      6  -0.571948D+01  0.107994D+02 -0.113953D+02  0.116498D+02 -0.165032D+02
               271           272           273           274           275 
      1   0.199088D+03  0.176830D+02 -0.138452D+02  0.605373D+02  0.183177D+02
      2  -0.105739D+03 -0.104174D+02  0.787372D+01 -0.329324D+02 -0.912931D+01
      3  -0.933497D+02 -0.726558D+01  0.597144D+01 -0.276049D+02 -0.918844D+01
      4   0.145386D+02  0.158238D+02 -0.587815D+00  0.223946D+02  0.137146D+02
      5  -0.147339D+02 -0.743914D+00  0.190957D+02 -0.362375D+01 -0.424445D+01
      6   0.231381D+01  0.119638D-01 -0.125772D+01  0.235151D+00  0.526347D+00
               276           277           278           279 
      1  -0.421489D+01 -0.239694D+02 -0.229615D+01  0.165098D+02
      2   0.287516D+01  0.135485D+02  0.217417D+01 -0.998041D+01
      3   0.133973D+01  0.104209D+02  0.121979D+00 -0.652943D+01
      4  -0.420662D+01 -0.108769D+01 -0.536289D+01 -0.149986D+01
      5   0.522552D+01  0.244364D+02 -0.168547D+01 -0.353529D+01
      6   0.135766D+01 -0.104672D+01  0.254170D+01 -0.187057D+00
 Leave Link  716 at Tue Aug 17 00:07:47 2021, MaxMem=  5637144576 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.311177D+03 -0.180893D+02 -0.804335D+01
      2  -0.180893D+02  0.181487D+03 -0.111747D+02
      3  -0.804335D+01 -0.111747D+02  0.126490D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.627614D+01  0.208383D+02 -0.171469D+01
      2  -0.108772D+01 -0.172808D+02 -0.303347D+02
      3   0.138403D+03 -0.554206D+02  0.215307D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.394704D+03 -0.195910D+03  0.198461D+02
      2  -0.194251D+03  0.152139D+03 -0.517333D+02
      3  -0.200453D+03  0.437707D+02  0.318871D+02
      4  -0.124489D+03  0.104106D+03 -0.479635D+02
      5   0.812687D+02 -0.578065D+02 -0.600493D+02
      6  -0.196874D+02  0.143312D+02 -0.621532D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.438047D+02  0.131261D+02 -0.100481D+01 -0.388586D+02  0.730501D+01
      2   0.131261D+02 -0.792261D+01  0.112350D+01  0.730501D+01 -0.618230D+01
      3  -0.100481D+01  0.112350D+01 -0.163948D-01  0.186649D+00  0.908736D+00
                 6             7             8             9            10 
      1   0.186649D+00  0.125891D+02 -0.295969D+01 -0.105646D+01  0.414357D+02
      2   0.908736D+00 -0.295969D+01  0.160551D+01 -0.117142D+01 -0.130819D+02
      3   0.153649D-01 -0.105646D+01 -0.117142D+01  0.723683D+00  0.879728D+00
                11            12            13            14            15 
      1  -0.130819D+02  0.879728D+00  0.424826D+02 -0.853138D+01 -0.476709D-01
      2   0.422679D+01 -0.255231D+00 -0.853138D+01  0.852929D+01 -0.138915D+01
      3  -0.255231D+00 -0.895821D-01 -0.476709D-01 -0.138915D+01 -0.389144D-01
                16            17            18            19            20 
      1  -0.129336D+02  0.313718D+01  0.800547D+00  0.436709D+02 -0.126008D+02
      2   0.313718D+01 -0.185847D+01  0.128733D+01 -0.126008D+02  0.110279D+02
      3   0.800547D+00  0.128733D+01 -0.484704D+00  0.122694D+01 -0.204697D+01
                21            22            23            24            25 
      1   0.122694D+01 -0.230327D+02  0.414790D+01 -0.638330D+00  0.400219D+01
      2  -0.204697D+01  0.414790D+01 -0.740477D+01  0.297881D+00 -0.863294D+00
      3   0.518601D+00 -0.638330D+00  0.297881D+00 -0.156824D+01 -0.578018D+00
                26            27            28            29            30 
      1  -0.863294D+00 -0.578018D+00 -0.518555D+02  0.653778D+01  0.269362D+00
      2  -0.394651D+00 -0.292293D+01  0.653778D+01 -0.467998D+01  0.977290D-01
      3  -0.292293D+01  0.206890D+01  0.269362D+00  0.977290D-01 -0.204340D+01
                31            32            33            34            35 
      1   0.947212D+01 -0.381459D+01 -0.802568D+00 -0.462554D+01 -0.581953D+00
      2  -0.381459D+01  0.163419D+02 -0.353569D+01 -0.581953D+00 -0.291777D+01
      3  -0.802568D+00 -0.353569D+01  0.595201D+00 -0.664715D+01  0.153444D+01
                36            37            38            39            40 
      1  -0.664715D+01 -0.206837D+01 -0.167325D+01  0.493195D+00  0.109214D+02
      2   0.153444D+01 -0.167325D+01 -0.138419D+02  0.305398D+01 -0.123354D+01
      3   0.200981D+00  0.493195D+00  0.305398D+01 -0.278328D+01 -0.959132D+00
                41            42            43            44            45 
      1  -0.123354D+01 -0.959132D+00 -0.293361D+01 -0.877169D+00 -0.515965D+01
      2  -0.600467D+01  0.262224D+01 -0.877169D+00  0.373150D+01  0.217214D+01
      3   0.262224D+01  0.862444D+00 -0.515965D+01  0.217214D+01 -0.888152D+00
                46            47            48            49            50 
      1   0.803289D+01  0.147463D+01 -0.632587D+00  0.149038D+01 -0.402047D+01
      2   0.147463D+01  0.979882D+01 -0.165334D+01 -0.402047D+01  0.917619D+00
      3  -0.632587D+00 -0.165334D+01  0.216962D+01  0.120916D+01  0.148291D+01
                51            52            53            54            55 
      1   0.120916D+01 -0.461040D+00  0.122762D+01  0.730587D+00 -0.316556D+01
      2   0.148291D+01  0.122762D+01  0.141363D+01  0.398441D+01 -0.307796D+01
      3   0.777244D+00  0.730587D+00  0.398441D+01 -0.253941D+01  0.828814D+00
                56            57            58            59            60 
      1  -0.307796D+01  0.828814D+00 -0.209766D+01  0.445119D+01 -0.127924D+01
      2  -0.515957D+01  0.689147D+00  0.445119D+01 -0.292857D+01 -0.822729D+00
      3   0.689147D+00 -0.232939D+01 -0.127924D+01 -0.822729D+00 -0.712569D+00
                61            62            63            64            65 
      1   0.480025D+00 -0.132270D+01 -0.305951D+00 -0.157039D+01 -0.218278D+01
      2  -0.132270D+01 -0.871870D+00 -0.361491D+01 -0.218278D+01 -0.108944D+01
      3  -0.305951D+00 -0.361491D+01  0.242288D+01  0.562852D+00  0.280522D+00
                66            67            68            69            70 
      1   0.562852D+00 -0.308392D+01 -0.274111D+01  0.833458D+00  0.921915D+00
      2   0.280522D+00 -0.274111D+01 -0.532616D+01  0.128814D+01  0.835887D+00
      3  -0.420425D+00  0.833458D+00  0.128814D+01 -0.118514D+01 -0.312362D+00
                71            72            73            74            75 
      1   0.835887D+00 -0.312362D+00 -0.576313D+01  0.355892D+01 -0.471704D+00
      2   0.131232D+01 -0.466604D+00  0.355892D+01 -0.374153D+01  0.593562D+00
      3  -0.466604D+00  0.404547D+00 -0.471704D+00  0.593562D+00 -0.537652D+00
                76            77            78            79            80 
      1   0.407877D+01 -0.469243D+01  0.977990D+00 -0.607592D+00  0.105935D+01
      2  -0.469243D+01  0.663655D+01 -0.101084D+01  0.105935D+01 -0.122635D+01
      3   0.977990D+00 -0.101084D+01  0.955103D+00  0.247975D+00  0.463790D+00
                81            82            83            84            85 
      1   0.247975D+00  0.125088D+01  0.187397D+01 -0.509688D+00  0.845793D+00
      2   0.463790D+00  0.187397D+01  0.290836D+01 -0.739006D+00  0.191145D+01
      3  -0.354746D+00 -0.509688D+00 -0.739006D+00  0.479325D+00 -0.439523D+00
                86            87            88            89            90 
      1   0.191145D+01 -0.439523D+00 -0.267465D+00 -0.513542D+00  0.157646D+00
      2   0.989053D+01 -0.223546D+01 -0.513542D+00 -0.259691D+01  0.659171D+00
      3  -0.223546D+01  0.149701D+01  0.157646D+00  0.659171D+00 -0.433369D+00
                91            92            93            94            95 
      1   0.173012D+02 -0.180127D+01  0.368377D+00  0.527862D+01  0.110312D+01
      2  -0.180127D+01  0.162061D+01  0.713412D+00  0.110312D+01 -0.253226D+01
      3   0.368377D+00  0.713412D+00  0.259634D+01  0.621518D+00  0.216549D+01
                96            97            98            99           100 
      1   0.621518D+00 -0.357411D+01  0.158938D+01  0.768185D+01  0.878603D+01
      2   0.216549D+01  0.158938D+01  0.188789D+01 -0.229528D+00  0.251464D+00
      3   0.668610D+00  0.768185D+01 -0.229528D+00 -0.150826D+01 -0.210821D+01
               101           102           103           104           105 
      1   0.251464D+00 -0.210821D+01 -0.702993D+00 -0.192536D+01 -0.315724D+00
      2  -0.176187D+01 -0.380513D+00 -0.192536D+01 -0.214030D-01 -0.368580D+01
      3  -0.380513D+00 -0.200559D+01 -0.315724D+00 -0.368580D+01 -0.673932D+00
               106           107           108           109           110 
      1   0.609032D+01 -0.809722D+00 -0.501345D+01  0.548398D+01  0.394860D+01
      2  -0.809722D+00 -0.258403D+01 -0.132284D+00  0.394860D+01  0.166511D+01
      3  -0.501345D+01 -0.132284D+00  0.260797D+01 -0.154241D+01 -0.425035D+00
               111           112           113           114           115 
      1  -0.154241D+01  0.398961D+00  0.159460D+01 -0.136509D+01 -0.850088D+01
      2  -0.425035D+00  0.159460D+01  0.594701D+00 -0.978204D+00 -0.226069D+01
      3  -0.897992D+00 -0.136509D+01 -0.978204D+00 -0.157268D+00 -0.373378D+01
               116           117           118           119           120 
      1  -0.226069D+01 -0.373378D+01 -0.134597D+01  0.228711D+01 -0.841184D+00
      2  -0.197852D+01 -0.212141D+00  0.228711D+01 -0.200869D+01  0.854505D-01
      3  -0.212141D+00  0.628589D+00 -0.841184D+00  0.854505D-01 -0.136806D+01
               121           122           123           124           125 
      1   0.485752D+01 -0.219083D+01  0.204568D+00 -0.170529D+01  0.182085D+00
      2  -0.219083D+01  0.514733D+01 -0.115550D+01  0.182085D+00 -0.157524D+01
      3   0.204568D+00 -0.115550D+01  0.148214D+01 -0.156153D+01  0.109550D+01
               126           127           128           129           130 
      1  -0.156153D+01  0.538236D+00 -0.592566D+00  0.154409D+00 -0.210911D+01
      2   0.109550D+01 -0.592566D+00  0.931396D+00 -0.426320D+00  0.198204D+00
      3  -0.687496D+00  0.154409D+00 -0.426320D+00  0.165367D+01  0.430238D+00
               131           132           133           134           135 
      1   0.198204D+00  0.430238D+00  0.483645D+00 -0.455596D-01  0.251030D+00
      2  -0.327209D+01  0.216123D+01 -0.455596D-01  0.171520D+01 -0.127850D+01
      3   0.216123D+01 -0.290722D+01  0.251030D+00 -0.127850D+01  0.225258D+01
               136           137           138           139           140 
      1  -0.155187D+02  0.186875D+00  0.395110D+01 -0.640178D+00 -0.105080D+01
      2   0.186875D+00 -0.902356D+00 -0.260557D+00 -0.105080D+01 -0.747794D-01
      3   0.395110D+01 -0.260557D+00 -0.266400D+01  0.249045D-01  0.667425D+00
               141           142           143           144           145 
      1   0.249045D-01  0.136429D+01  0.167669D+00 -0.123444D+01 -0.267758D+00
      2   0.667425D+00  0.167669D+00  0.143295D+00 -0.458757D-01  0.709907D+00
      3  -0.168263D+00 -0.123444D+01 -0.458757D-01  0.492901D+00  0.551848D+00
               146           147           148           149           150 
      1   0.709907D+00  0.551848D+00  0.159739D+01 -0.841015D-02 -0.501253D+00
      2   0.101905D+01  0.717241D+00 -0.841015D-02  0.389995D+01  0.306892D+01
      3   0.717241D+00  0.161454D+01 -0.501253D+00  0.306892D+01  0.372267D+01
               151           152           153           154           155 
      1   0.218404D+00 -0.641248D-01  0.305592D-01 -0.158604D+02 -0.519643D+01
      2  -0.641248D-01  0.222678D+01  0.222985D+01 -0.519643D+01 -0.303677D+01
      3   0.305592D-01  0.222985D+01  0.370678D+01  0.105753D+01 -0.323400D+00
               156           157           158           159           160 
      1   0.105753D+01 -0.798492D+01 -0.592789D+01  0.812616D+00  0.170357D+01
      2  -0.323400D+00 -0.592789D+01 -0.507829D+01  0.586547D+00  0.858426D+00
      3  -0.245154D+01  0.812616D+00  0.586547D+00 -0.149870D+01 -0.213789D+01
               161           162           163           164           165 
      1   0.858426D+00 -0.213789D+01 -0.114474D+02 -0.366455D+01 -0.284907D+01
      2   0.146218D+01 -0.114081D+01 -0.366455D+01 -0.614781D+00 -0.537431D-02
      3  -0.114081D+01  0.182139D+01 -0.284907D+01 -0.537431D-02 -0.111138D+01
               166           167           168           169           170 
      1  -0.735618D+01 -0.138741D+01 -0.948134D+00  0.193734D+01  0.605975D+00
      2  -0.138741D+01 -0.129835D+01 -0.185512D+01  0.605975D+00 -0.256853D+00
      3  -0.948134D+00 -0.185512D+01 -0.238588D+01 -0.638119D+00 -0.137689D+01
               171           172           173           174           175 
      1  -0.638119D+00  0.973274D+01  0.300637D+01  0.962945D+00  0.855248D+01
      2  -0.137689D+01  0.300637D+01  0.104694D+01  0.568534D+00  0.153744D+01
      3  -0.707875D+01  0.962945D+00  0.568534D+00  0.267936D+01  0.136471D+01
               176           177           178           179           180 
      1   0.153744D+01  0.136471D+01  0.366876D+01  0.690985D+00  0.158448D+01
      2   0.587954D+00 -0.413675D+00  0.690985D+00 -0.107802D+01  0.672722D+00
      3  -0.413675D+00  0.173527D+01  0.158448D+01  0.672722D+00 -0.163407D+01
               181           182           183           184           185 
      1   0.397757D+01  0.169227D+01 -0.320439D+00 -0.142231D+02  0.384272D+01
      2   0.169227D+01  0.993015D+01 -0.225154D+01  0.384272D+01  0.236227D+01
      3  -0.320439D+00 -0.225154D+01  0.284894D+01  0.694090D+00 -0.199827D+01
               186           187           188           189           190 
      1   0.694090D+00  0.362884D+01 -0.303997D+00  0.378172D+01  0.360008D+02
      2  -0.199827D+01 -0.303997D+00 -0.278455D+01 -0.246267D+01 -0.823216D+01
      3  -0.103683D+01  0.378172D+01 -0.246267D+01  0.117487D+01  0.641933D+00
               191           192           193           194           195 
      1  -0.823216D+01  0.641933D+00 -0.548985D+01  0.400760D+01  0.105682D+01
      2   0.954808D+01 -0.105319D+01  0.400760D+01 -0.130846D+02  0.272229D+01
      3  -0.105319D+01  0.377663D+01  0.105682D+01  0.272229D+01 -0.733601D+00
               196           197           198           199           200 
      1  -0.531453D-01  0.115669D+01  0.672100D+01 -0.375928D+02  0.133914D+02
      2   0.115669D+01  0.195901D+01 -0.184384D+01  0.133914D+02 -0.918155D+01
      3   0.672100D+01 -0.184384D+01 -0.293761D+00 -0.110158D+01  0.175912D+01
               201           202           203           204           205 
      1  -0.110158D+01  0.203073D+02 -0.668851D+01  0.756085D+00 -0.237671D+01
      2   0.175912D+01 -0.668851D+01  0.783411D+01  0.115130D+00  0.124586D+01
      3  -0.553032D+00  0.756085D+00  0.115130D+00  0.189079D+01  0.467696D+00
               206           207           208           209           210 
      1   0.124586D+01  0.467696D+00 -0.676805D+01  0.459067D+01 -0.784508D+00
      2   0.896201D+00  0.412724D+01  0.459067D+01 -0.434054D+01  0.790124D+00
      3   0.412724D+01 -0.268748D+01 -0.784508D+00  0.790124D+00 -0.238579D+00
               211           212           213           214           215 
      1  -0.196106D+01  0.386868D+01 -0.805013D+00  0.954903D+00 -0.108356D+01
      2   0.386868D+01  0.442747D+00 -0.471171D+00 -0.108356D+01  0.456464D+00
      3  -0.805013D+00 -0.471171D+00 -0.102997D+01  0.643591D+00  0.611876D+00
               216           217           218           219           220 
      1   0.643591D+00 -0.341824D+00 -0.444974D+01  0.987716D+00 -0.251243D+01
      2   0.611876D+00 -0.444974D+01  0.215839D+01  0.106859D+00 -0.224478D+01
      3  -0.683318D-01  0.987716D+00  0.106859D+00 -0.470763D-01  0.505694D+00
               221           222           223           224           225 
      1  -0.224478D+01  0.505694D+00  0.312267D+00  0.560583D+00 -0.270951D+01
      2   0.282465D+01  0.215744D+01  0.560583D+00  0.157948D+01  0.419081D+01
      3   0.215744D+01  0.548792D+01 -0.270951D+01  0.419081D+01 -0.343517D+01
               226           227           228           229           230 
      1  -0.848524D+00 -0.165729D+01  0.454220D+00 -0.574292D+00 -0.132493D+01
      2  -0.165729D+01 -0.247526D+01  0.649316D+00 -0.132493D+01 -0.854603D+01
      3   0.454220D+00  0.649316D+00 -0.439563D+00  0.328295D+00  0.194160D+01
               231           232           233           234           235 
      1   0.328295D+00  0.215034D+00  0.443779D+00 -0.176768D-01  0.584469D+01
      2   0.194160D+01  0.443779D+00  0.217086D+01 -0.602832D+00 -0.309853D+01
      3  -0.139380D+01 -0.176768D-01 -0.602832D+00  0.413916D+00  0.366390D+00
               236           237           238           239           240 
      1  -0.309853D+01  0.366390D+00 -0.475799D+01  0.448453D+01 -0.953028D+00
      2   0.281020D+01 -0.427893D+00  0.448453D+01 -0.567256D+01  0.933450D+00
      3  -0.427893D+00  0.349114D+00 -0.953028D+00  0.933450D+00 -0.830943D+00
               241           242           243           244           245 
      1   0.721085D+00 -0.992221D+00 -0.278229D+00  0.180403D+01  0.289906D+01
      2  -0.992221D+00  0.116971D+01 -0.221665D+00  0.289906D+01  0.224711D+01
      3  -0.278229D+00 -0.221665D+00  0.250172D+00 -0.770495D+00 -0.605031D+00
               246           247           248           249           250 
      1  -0.770495D+00  0.367935D+01  0.356330D+01 -0.963087D+00 -0.977140D+00
      2  -0.605031D+00  0.356330D+01  0.713988D+01 -0.170079D+01 -0.990178D+00
      3   0.643400D+00 -0.963087D+00 -0.170079D+01  0.138909D+01  0.520286D+00
               251           252           253           254           255 
      1  -0.990178D+00  0.520286D+00 -0.788317D+00  0.845716D-01 -0.741555D+00
      2  -0.184246D+01  0.493990D+00  0.845716D-01 -0.688053D+00 -0.635324D-01
      3   0.493990D+00 -0.426115D+00 -0.741555D+00 -0.635324D-01 -0.544688D+00
               256           257           258           259           260 
      1  -0.279938D+01  0.282987D+01  0.149347D+01 -0.359761D+01  0.187684D+01
      2   0.282987D+01 -0.507899D+01 -0.287585D+01  0.187684D+01 -0.316557D+01
      3   0.149347D+01 -0.287585D+01 -0.284429D+01  0.224019D+01 -0.293884D+01
               261           262           263           264           265 
      1   0.224019D+01  0.141866D-01  0.235052D+00  0.105431D+01 -0.103748D+01
      2  -0.293884D+01  0.235052D+00 -0.450862D+00 -0.254410D+00  0.148606D+01
      3  -0.303292D+01  0.105431D+01 -0.254410D+00 -0.443281D-01 -0.119435D+01
               266           267           268           269           270 
      1   0.148606D+01 -0.119435D+01  0.536852D+01 -0.188067D+01  0.383200D+01
      2  -0.175008D+01  0.137252D+01 -0.188067D+01  0.186636D+01 -0.266247D+01
      3   0.137252D+01 -0.227766D+01  0.383200D+01 -0.266247D+01  0.660822D+01
               271           272           273           274           275 
      1   0.151336D+02  0.145441D+01 -0.113343D+01  0.525906D+01  0.145076D+01
      2   0.145441D+01  0.956859D+00 -0.571566D-01  0.145076D+01  0.110642D+01
      3  -0.113343D+01 -0.571566D-01  0.125639D+01 -0.288115D+00 -0.363703D+00
               276           277           278           279 
      1  -0.288115D+00 -0.204647D+01 -0.892355D-01  0.169305D+01
      2  -0.363703D+00 -0.892355D-01 -0.465103D+00 -0.199055D+00
      3   0.364353D+00  0.169305D+01 -0.199055D+00 -0.225644D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.260028D+01  0.252206D+01 -0.288040D+00  0.219530D+01 -0.890115D+00
      2   0.263447D+01  0.910167D+01 -0.122564D+01  0.727657D+01 -0.744680D+01
      3  -0.186891D+02  0.429343D+02 -0.995814D+01  0.221504D+02 -0.300581D+02
                 6             7             8             9            10 
      1  -0.228943D+00 -0.525008D+01  0.836540D+01 -0.179384D+01 -0.374266D+00
      2   0.195913D+01 -0.210239D+02  0.402664D+01 -0.214197D-01 -0.211799D+01
      3   0.623794D+01  0.142074D+01  0.347150D+01 -0.455072D+00  0.304730D+02
                11            12            13            14            15 
      1   0.339470D+01 -0.115287D+01 -0.207894D+00  0.991040D+00  0.631845D+00
      2   0.100148D+02 -0.721425D+01  0.570695D+01 -0.625319D+01  0.102899D+01
      3   0.365227D+02 -0.955430D+01  0.743713D+02 -0.333867D+02  0.402729D+01
                16            17            18            19            20 
      1  -0.557728D+01  0.714879D+01 -0.162321D+01 -0.355616D+01 -0.648859D+00
      2  -0.232496D+02  0.353866D+01  0.640224D+00 -0.538361D+01 -0.730761D+01
      3  -0.144163D+02  0.467549D+01 -0.660187D+00  0.172424D+02 -0.384907D+02
                21            22            23            24            25 
      1   0.945851D-01 -0.110148D+01  0.977939D-01 -0.111352D+01 -0.646852D+01
      2   0.125144D+01 -0.242006D+01  0.267023D+01  0.766374D+00 -0.186182D+02
      3   0.911072D+01 -0.120001D+02  0.529000D+01 -0.229697D+01  0.879522D+01
                26            27            28            29            30 
      1   0.322712D+01 -0.120874D+01 -0.102312D+01  0.165555D+01  0.737701D+00
      2   0.760893D+01 -0.175294D+01  0.350368D+00  0.308938D+01  0.265999D-01
      3  -0.230605D+01 -0.106044D+01 -0.425290D+02  0.134970D+02 -0.178294D+01
                31            32            33            34            35 
      1   0.556006D+01  0.517547D+01  0.161144D+00  0.474067D+01  0.134544D+02
      2   0.371516D+01 -0.848433D+00  0.322842D-01 -0.148209D+02  0.140704D+01
      3   0.362502D+02 -0.854936D+01 -0.503782D+00 -0.460249D+01 -0.224340D+01
                36            37            38            39            40 
      1  -0.286654D+01 -0.340984D+00  0.782619D+00  0.677215D+01  0.265715D+01
      2   0.739805D+00 -0.548492D+01  0.108393D+01  0.168951D+01 -0.290198D+01
      3  -0.398066D+01 -0.189671D+02  0.392300D+01 -0.126313D+01  0.898281D+01
                41            42            43            44            45 
      1  -0.488225D+00 -0.174945D+01  0.176565D+02  0.421862D+01 -0.159405D+01
      2  -0.345489D+01 -0.108494D+01 -0.712447D+01 -0.753160D+01  0.204851D+01
      3  -0.208860D+01 -0.841161D+00 -0.326701D+01  0.122033D+00 -0.700544D+01
                46            47            48            49            50 
      1   0.311152D+00 -0.298609D+01 -0.589969D+01 -0.279995D+01 -0.399652D+00
      2   0.804032D+01 -0.734195D+01  0.191304D+01 -0.711044D+01  0.730688D+01
      3   0.384430D+02 -0.307961D+02  0.615538D+01 -0.101395D+02  0.262786D+02
                51            52            53            54            55 
      1  -0.279777D+01 -0.863299D+01 -0.496427D+01  0.381434D+01  0.760791D+00
      2  -0.154617D+01 -0.155635D+02 -0.379838D+00  0.207814D+01  0.736544D+01
      3  -0.442256D+01  0.485159D+01 -0.334854D+01  0.532846D+01  0.376043D+02
                56            57            58            59            60 
      1  -0.435489D+01 -0.465679D+01 -0.132051D+01  0.666579D+00 -0.188894D+01
      2  -0.943832D+01 -0.401788D+01 -0.709734D+01  0.647211D+01 -0.223364D+01
      3  -0.343585D+02  0.878820D+01 -0.789400D+01  0.332728D+02 -0.482791D+01
                61            62            63            64            65 
      1  -0.732885D+01 -0.238909D+01  0.187795D+01 -0.335395D+00 -0.573451D+00
      2  -0.216530D+02 -0.251317D+01  0.539274D+01  0.815119D+00  0.639037D+00
      3   0.630489D+01 -0.286968D+01  0.103287D+02  0.741761D+00 -0.400888D+00
                66            67            68            69            70 
      1  -0.141931D+01 -0.817015D+00 -0.166556D+01 -0.304887D+01 -0.861698D+00
      2   0.308705D+00  0.119184D+01 -0.499738D+00  0.192225D+01 -0.256214D+01
      3   0.221597D+00  0.369864D+01 -0.560397D+01  0.130325D+01 -0.649505D-01
                71            72            73            74            75 
      1   0.259412D+01  0.372581D+00 -0.364924D+00  0.379483D+00  0.268346D+01
      2  -0.828084D+00  0.163269D-02 -0.163657D+01  0.243138D-01  0.190716D+01
      3   0.133987D+01  0.391537D+00 -0.104965D+02  0.116362D+01 -0.127838D+00
                76            77            78            79            80 
      1  -0.129173D+01  0.328020D+00 -0.393692D+01 -0.304755D+01  0.126759D+01
      2  -0.483726D+00  0.319904D+00 -0.263938D+01 -0.231222D+01 -0.106091D+00
      3   0.427410D+01  0.737845D+00  0.786667D+00  0.450051D+00 -0.138452D+00
                81            82            83            84            85 
      1   0.738830D+00  0.647549D+00  0.333411D+00 -0.197254D+01  0.589766D+00
      2   0.894733D+00  0.127075D+01  0.586142D+00  0.683519D+00  0.982199D+00
      3   0.121036D+01  0.626568D+01  0.259166D+01 -0.116409D+01  0.547814D+01
                86            87            88            89            90 
      1   0.120019D+01 -0.556373D+01  0.107964D+01  0.241950D+01  0.725796D+00
      2   0.113626D+01  0.103674D+01 -0.130965D+01  0.489526D+00 -0.698714D+00
      3   0.372273D+01 -0.145032D+01 -0.126907D+01 -0.169746D+01 -0.349918D+00
                91            92            93            94            95 
      1   0.318742D+01  0.964452D+00 -0.164532D+01  0.654644D+01  0.520526D+00
      2  -0.547771D+01 -0.171105D+01 -0.531596D+01 -0.167847D+01 -0.985582D+01
      3   0.160942D+02  0.320226D+00  0.189678D+01  0.242398D+02 -0.154930D+02
                96            97            98            99           100 
      1  -0.243369D+01 -0.170147D+01  0.528938D+01  0.710323D+00  0.400967D+01
      2  -0.169022D+00 -0.336463D+02  0.119437D+01  0.393472D+01 -0.997130D+01
      3   0.975644D+01 -0.718373D+00  0.136240D+02  0.690248D+01  0.542545D+01
               101           102           103           104           105 
      1  -0.675002D+01  0.833168D+00 -0.290857D+01  0.449530D+00 -0.123667D+02
      2  -0.104399D+01  0.165262D+02 -0.273879D+01  0.197685D+02  0.279715D+01
      3  -0.150655D+02 -0.263396D+00 -0.949600D+01  0.179046D+01 -0.165246D+02
               106           107           108           109           110 
      1   0.311178D+01 -0.664792D+01 -0.347866D+01 -0.470839D+01  0.269955D+01
      2   0.180361D+02 -0.311630D+00 -0.520444D+01  0.106975D+02  0.531672D+01
      3   0.738628D+01 -0.154270D+02 -0.497321D+01 -0.725950D+01  0.769054D+01
               111           112           113           114           115 
      1   0.109967D+02 -0.102448D+02 -0.745319D+01 -0.498318D+01  0.971852D+01
      2   0.304439D+01  0.738785D+01  0.423933D+01 -0.117282D+02  0.667375D+01
      3  -0.743887D+01  0.524942D+01  0.186378D+02 -0.294083D+01 -0.185181D+02
               116           117           118           119           120 
      1   0.132058D+01  0.589216D+01  0.144093D+01 -0.102685D+01  0.112708D+01
      2  -0.218101D+01  0.271694D+01  0.397018D+01 -0.129699D+01  0.589640D+01
      3  -0.103494D+02 -0.445546D+01  0.950438D+01 -0.732197D+01  0.416500D-01
               121           122           123           124           125 
      1  -0.121690D+01  0.171410D+01 -0.292632D+01  0.110727D+01 -0.126963D+00
      2  -0.157997D+01  0.517553D+01 -0.570187D+01  0.318060D+01 -0.388352D+01
      3   0.136270D-01  0.185159D+02 -0.455923D+01 -0.128962D+01 -0.647934D+01
               126           127           128           129           130 
      1   0.650361D+00 -0.258957D+01  0.338234D+01 -0.880975D+00  0.143135D+01
      2   0.265322D+01 -0.423427D+01  0.376533D+01 -0.610654D+01  0.384507D+01
      3   0.257272D+01 -0.482919D+01  0.462166D+01 -0.218867D+01  0.377072D+01
               131           132           133           134           135 
      1  -0.906586D+01  0.349066D+01 -0.348699D+00  0.549788D+01 -0.295613D+01
      2  -0.101843D+02  0.105930D+02 -0.268695D+01  0.508241D+01 -0.903750D+01
      3  -0.135467D+02  0.909411D+01 -0.155354D+00  0.615736D+01 -0.531126D+01
               136           137           138           139           140 
      1  -0.264035D+01 -0.294442D+01  0.727606D+00 -0.229688D+01 -0.109162D+01
      2   0.974787D+01  0.954603D+00  0.838197D+01  0.824715D+00 -0.884458D+00
      3  -0.759301D+01 -0.675527D+01  0.978917D+00 -0.386682D+01 -0.116391D+01
               141           142           143           144           145 
      1   0.362176D+00 -0.755288D-01  0.150075D+01 -0.323513D+00  0.168580D+01
      2   0.112194D+01  0.858309D+00  0.103096D+01  0.291054D+00 -0.387701D+01
      3   0.235287D+01 -0.507301D+00  0.298564D+01 -0.130111D+01  0.303309D+01
               146           147           148           149           150 
      1   0.322170D+01  0.129415D+00  0.179008D+01  0.796023D+01  0.262288D+01
      2  -0.399326D+01 -0.666711D+01 -0.235877D+01 -0.127607D+02 -0.135715D+02
      3   0.453616D+01  0.252321D+01  0.362488D+01  0.142894D+02  0.106761D+02
               151           152           153           154           155 
      1  -0.499272D+00  0.550176D+01  0.270879D+01  0.413720D+01 -0.351210D+00
      2  -0.342311D+01 -0.881213D+01 -0.138967D+02 -0.112676D+02 -0.129884D+01
      3  -0.596915D+00  0.811260D+01  0.815638D+01 -0.758249D+01 -0.207488D+02
               156           157           158           159           160 
      1  -0.739390D+01  0.695098D+01  0.452047D+01 -0.559255D+01 -0.374567D+01
      2   0.192817D+02 -0.248945D+01 -0.532968D+01  0.133598D+02  0.474429D+01
      3  -0.616688D+00 -0.176882D+02 -0.276024D+02  0.136440D+01  0.477265D+01
               161           162           163           164           165 
      1   0.105663D+01  0.269739D+01  0.648175D+01  0.312708D+01 -0.384343D+01
      2   0.370315D+01 -0.107257D+02 -0.121717D+02 -0.650871D+01  0.329852D+01
      3   0.712206D+01 -0.279132D+01 -0.980170D+01 -0.465026D+01  0.158648D+01
               166           167           168           169           170 
      1   0.896507D+01  0.554461D+01  0.326430D+00 -0.270588D+01  0.670954D+01
      2  -0.117785D+02  0.457126D+01  0.974126D+01 -0.150198D+01  0.494885D+01
      3  -0.104606D+01 -0.646866D+01 -0.100141D+02  0.687385D+01 -0.189679D+01
               171           172           173           174           175 
      1  -0.459597D+01 -0.856739D+01 -0.417660D+01  0.144560D+01 -0.103968D+02
      2   0.225645D+02  0.210478D+02  0.483234D+01 -0.772266D+01  0.110803D+02
      3  -0.455839D+01  0.220832D+01  0.330417D+01  0.286482D+01  0.101384D+02
               176           177           178           179           180 
      1  -0.431037D+01 -0.104677D+01  0.980687D+00  0.345220D+00 -0.126499D+01
      2   0.442169D+01 -0.540643D+01 -0.335927D+01 -0.126828D+01  0.642231D+01
      3   0.173469D+01  0.111253D+01  0.244233D+01  0.122960D+01  0.410072D+00
               181           182           183           184           185 
      1   0.120155D+00  0.366181D+01  0.547288D+01  0.226526D+01  0.526113D+00
      2  -0.626203D+01  0.236295D+01  0.736704D+01 -0.469856D+01 -0.625265D+01
      3  -0.242198D+02  0.648176D+01 -0.240172D+01 -0.225368D+02 -0.796662D+01
               186           187           188           189           190 
      1  -0.217711D+01  0.111764D+02  0.410249D+01 -0.220652D+01 -0.128790D+01
      2  -0.210885D+01 -0.486727D+01 -0.105019D+02  0.290402D+01 -0.415890D+01
      3   0.441419D+01  0.772490D+01  0.430896D+01 -0.838456D+00  0.803471D+01
               191           192           193           194           195 
      1   0.286446D+01 -0.292070D+01  0.328600D+01  0.156889D+01  0.269730D+01
      2   0.578105D+01 -0.917387D+00  0.123619D+02 -0.229249D+01 -0.830481D+00
      3   0.178442D+02 -0.442582D+01  0.459364D+02 -0.934199D+01  0.365032D+00
               196           197           198           199           200 
      1   0.193492D+00  0.142937D+02 -0.419801D+01 -0.369753D+00 -0.289786D+01
      2  -0.141108D+01  0.299535D+01 -0.849839D+00 -0.188654D+01 -0.677955D+01
      3  -0.118611D+02  0.317918D+00  0.401472D+01 -0.319404D+02 -0.271800D+02
               201           202           203           204           205 
      1   0.105400D+01 -0.296365D+01  0.195953D+01 -0.333152D+01 -0.834477D+01
      2   0.506020D+01 -0.541511D+01  0.935905D+01  0.183656D+01 -0.150931D+02
      3   0.713240D+01  0.724738D+01  0.118089D+02 -0.613531D+01  0.437833D+01
               206           207           208           209           210 
      1   0.309522D+01  0.631534D+00  0.147107D+01 -0.264190D+01  0.402291D+01
      2   0.160538D+02 -0.639651D+01  0.265959D+01 -0.777697D+01  0.159307D+02
      3  -0.770022D+01 -0.633737D+01  0.334519D+01 -0.445107D+02  0.675649D+01
               211           212           213           214           215 
      1   0.247350D+00 -0.203737D+01 -0.541287D+01  0.168610D+01 -0.162268D+01
      2  -0.334350D+01 -0.262810D+01 -0.624160D+01 -0.473562D+01  0.300382D+01
      3  -0.789149D+01 -0.334754D+01  0.262941D+01  0.273972D+01  0.269042D+01
               216           217           218           219           220 
      1   0.143558D+01  0.442883D+00  0.111325D+01 -0.119632D+01 -0.142415D+01
      2  -0.328784D+00  0.703944D+01  0.389773D+01 -0.177362D+01  0.476618D+01
      3  -0.361233D+01  0.338476D+02  0.461577D+01 -0.527041D+01  0.248620D+02
               221           222           223           224           225 
      1   0.292871D+01  0.755021D+01 -0.137864D+02  0.983981D+01 -0.468184D+01
      2   0.930878D+01  0.350956D+02 -0.197466D+02  0.272927D+02 -0.221304D+02
      3  -0.340349D+02 -0.109026D+02 -0.504533D+01 -0.797816D+01 -0.268255D+02
               226           227           228           229           230 
      1   0.135089D+00 -0.324391D+00 -0.159356D+01 -0.144978D-01 -0.857346D+00
      2   0.212477D+01  0.164193D+01 -0.213177D+00  0.144351D+01  0.428272D+01
      3   0.808782D+01  0.521971D+01 -0.177950D+01  0.581874D+01  0.168013D+02
               231           232           233           234           235 
      1  -0.430251D+01  0.642841D+00  0.309993D+01  0.347343D+00 -0.934143D+00
      2  -0.139697D+01 -0.722318D+00 -0.112851D+01  0.174495D+00 -0.224177D+01
      3  -0.427890D+01 -0.196158D+01 -0.460282D+01  0.713708D+00 -0.474692D+01
               236           237           238           239           240 
      1   0.715953D+00  0.163447D+01 -0.287087D+00 -0.603938D+00 -0.305594D+01
      2  -0.191694D+00  0.152345D+01 -0.111158D+01  0.170877D+01 -0.342401D+01
      3  -0.435295D+01  0.988956D+00 -0.399453D+01  0.131482D+02 -0.172429D+01
               241           242           243           244           245 
      1  -0.269175D+01  0.155296D+01  0.519858D+00  0.109036D+00 -0.184951D+00
      2  -0.256237D+01 -0.148693D+00  0.120636D+01 -0.128234D+01 -0.107508D+01
      3   0.219753D+01 -0.274190D+01  0.144091D+01 -0.403055D+01 -0.439550D+01
               246           247           248           249           250 
      1  -0.159505D+01  0.219472D+00 -0.384140D+00 -0.377718D+01 -0.411837D-01
      2   0.236384D+01 -0.129968D+01 -0.394797D+01  0.463798D+01 -0.167031D+01
      3   0.932151D+00 -0.175845D+01 -0.171173D+02  0.369404D+01  0.116600D+01
               251           252           253           254           255 
      1   0.193557D+01  0.608842D+00  0.549315D+00 -0.300874D+00 -0.132615D+01
      2   0.639595D+00 -0.992313D+00 -0.541610D+01 -0.572016D+00 -0.233131D+01
      3   0.446117D+01 -0.568852D+00  0.224511D+01  0.290936D+01  0.131448D+01
               256           257           258           259           260 
      1   0.174462D+01 -0.190793D+01 -0.521928D+01  0.319302D+01 -0.130121D+01
      2   0.570906D+01 -0.143003D+02 -0.166077D+02  0.919792D+01 -0.166657D+02
      3  -0.130010D+02  0.342971D+02  0.156669D+02 -0.708878D+01  0.196779D+02
               261           262           263           264           265 
      1  -0.471580D+01  0.425161D-01 -0.245690D+00 -0.533090D+00 -0.959977D+00
      2  -0.162592D+02  0.763487D+01 -0.169072D+01  0.275250D+00 -0.602606D+01
      3   0.168892D+02  0.202912D+00  0.838465D+00  0.851721D+00 -0.770768D+01
               266           267           268           269           270 
      1   0.109737D+01 -0.348581D+01  0.501741D+01 -0.171716D+00  0.815543D+01
      2   0.822436D+01 -0.138553D+02  0.171853D+02 -0.166564D+02  0.390064D+02
      3   0.142040D+02 -0.852187D+01  0.751434D+01 -0.137365D+02  0.162884D+02
               271           272           273           274           275 
      1  -0.104025D+01 -0.410369D+00  0.586048D+00 -0.175835D+00 -0.506216D+00
      2  -0.654949D+01 -0.652792D+00  0.100209D+02 -0.175930D+01 -0.202587D+01
      3  -0.210693D+02 -0.107302D+02  0.167813D+01 -0.115003D+02 -0.780483D+01
               276           277           278           279 
      1  -0.648024D+00  0.175898D+01  0.129894D+00  0.341162D-01
      2   0.261699D+01  0.820133D+01 -0.105459D+01 -0.135273D+01
      3   0.244070D+01  0.234391D+01  0.321908D+01  0.437346D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.968887D+02  0.553493D+02 -0.913003D+01 -0.815418D+02 -0.257362D+01
      2   0.523962D+02 -0.350336D+02  0.586885D+01  0.460792D+02  0.365751D+01
      3   0.444925D+02 -0.203157D+02  0.326118D+01  0.354626D+02 -0.108389D+01
      4   0.567454D+02 -0.637472D+01 -0.110694D+01 -0.610718D+01 -0.368768D+01
      5  -0.180373D+02  0.775155D+00  0.139369D+01 -0.261222D+01  0.303619D+01
      6   0.156774D+01  0.135744D+01  0.541969D+00  0.216806D+01 -0.290027D+01
                 6             7             8             9            10 
      1   0.267465D+01  0.258344D+02 -0.521698D+01 -0.103192D+02  0.112443D+03
      2  -0.380055D+01 -0.126365D+02  0.248508D+01 -0.870303D+00 -0.539583D+02
      3   0.112589D+01 -0.131979D+02  0.273190D+01  0.111895D+02 -0.584847D+02
      4   0.169681D+01 -0.201983D+01  0.139758D+01  0.780650D+00 -0.280201D+02
      5   0.302125D+00  0.204036D+01 -0.194088D+01  0.398276D+00  0.873127D+01
      6   0.976848D+00  0.161409D+01  0.352457D+01  0.176646D+01 -0.660816D+01
                11            12            13            14            15 
      1  -0.150556D+02 -0.427201D+01  0.832975D+02 -0.322858D+02  0.121328D+01
      2   0.893644D+01  0.122788D+01 -0.398259D+02  0.277613D+02 -0.540415D+01
      3   0.611920D+01  0.304413D+01 -0.434716D+02  0.452444D+01  0.419087D+01
      4   0.494081D+01 -0.189438D+01 -0.163217D+02  0.158837D+02 -0.238770D+01
      5  -0.658788D+01 -0.831191D+01  0.801479D+01 -0.315594D+01  0.227237D+00
      6   0.180033D+01  0.119352D+01 -0.263316D+01 -0.356733D+01 -0.427826D+00
                16            17            18            19            20 
      1  -0.279453D+02  0.693459D+01 -0.876808D+01  0.604592D+02 -0.600406D+02
      2   0.144078D+02 -0.559163D+01  0.392571D+00 -0.337693D+02  0.436135D+02
      3   0.135375D+02 -0.134296D+01  0.837551D+01 -0.266900D+02  0.164272D+02
      4   0.641415D+01 -0.263052D+01  0.372752D+01 -0.520743D+02  0.469043D+01
      5  -0.280652D+01  0.395844D+01  0.367587D+00  0.192213D+02 -0.104762D+01
      6   0.455721D+01  0.551108D+01  0.149286D+01 -0.209841D+01 -0.187114D+01
                21            22            23            24            25 
      1   0.110338D+02  0.457305D+01  0.351156D+02 -0.804857D+01 -0.468099D+01
      2  -0.775161D+01 -0.142783D+02 -0.346119D+02  0.849590D+01  0.664657D+01
      3  -0.328221D+01  0.970524D+01 -0.503737D+00 -0.447325D+00 -0.196557D+01
      4   0.797121D-02  0.236772D+02 -0.595905D+01  0.455823D+01 -0.394164D+01
      5  -0.453247D+01 -0.927041D+01  0.614062D+01  0.636242D+01  0.433739D+01
      6   0.158757D+01  0.928661D+01  0.884103D+01  0.927479D+00  0.163286D+01
                26            27            28            29            30 
      1  -0.450913D+01 -0.607323D+01  0.377054D+01  0.832486D+01  0.114687D+01
      2   0.812790D+01 -0.811096D+01 -0.185336D+02 -0.999268D+01 -0.670603D-01
      3  -0.361877D+01  0.141842D+02  0.147631D+02  0.166782D+01 -0.107980D+01
      4   0.623756D+01  0.250939D+01  0.206606D+02  0.111855D+02  0.277743D+00
      5   0.896061D+01 -0.292638D+01 -0.193401D+02  0.270678D+01  0.897727D+01
      6   0.357942D+01  0.101312D+01  0.117864D+02  0.448261D-01 -0.316468D+01
                31            32            33            34            35 
      1   0.233753D+02 -0.738256D+02  0.133970D+02 -0.806730D+01  0.163419D+02
      2  -0.173652D+02  0.685242D+02 -0.170668D+02  0.320515D+01 -0.164126D+02
      3  -0.601012D+01  0.530133D+01  0.366979D+01  0.486215D+01  0.706760D-01
      4  -0.385716D+02  0.226263D+01  0.224278D+01  0.201989D+02  0.195001D+01
      5   0.147857D+02  0.135111D+01 -0.157583D+01  0.324969D+02 -0.514049D+01
      6   0.121584D+01 -0.996638D+01  0.223581D+00 -0.609159D+01  0.730080D+01
                36            37            38            39            40 
      1  -0.282317D+01 -0.525014D+01  0.732707D+02 -0.177587D+02 -0.185341D+02
      2  -0.470986D+01  0.613792D+00 -0.604436D+02  0.963782D+01  0.215169D+02
      3   0.753304D+01  0.463635D+01 -0.128272D+02  0.812084D+01 -0.298278D+01
      4   0.243963D+01  0.317718D+01 -0.204040D+02  0.366510D+01  0.101190D+02
      5  -0.109257D-01 -0.251817D+00 -0.150769D+00  0.500394D+01  0.570590D+01
      6   0.521158D+01 -0.328466D+01  0.630915D+01 -0.139831D+02 -0.136631D+02
                41            42            43            44            45 
      1   0.341509D+02 -0.119739D+02  0.709246D+01 -0.172067D+02 -0.105612D+02
      2  -0.347002D+02  0.103560D+02 -0.137266D+02  0.196064D+02  0.130695D+01
      3   0.549307D+00  0.161790D+01  0.663419D+01 -0.239968D+01  0.925427D+01
      4   0.900037D+01 -0.784721D+01  0.467283D+01 -0.621118D+01 -0.839308D+01
      5  -0.888046D+01 -0.511020D+01  0.211885D+02 -0.685656D+01  0.445904D+01
      6   0.107367D+02  0.211562D+01 -0.190249D+02  0.131755D+02  0.552821D+00
                46            47            48            49            50 
      1   0.537054D+01 -0.514406D+02  0.100873D+02  0.236097D+02 -0.250520D+01
      2  -0.546523D+01  0.446293D+02 -0.423980D+01 -0.196688D+02 -0.452862D+01
      3   0.946834D-01  0.681128D+01 -0.584750D+01 -0.394094D+01  0.703383D+01
      4   0.957600D+01 -0.490620D+01  0.179869D+01 -0.212338D+01 -0.112159D+02
      5  -0.859682D+00  0.554037D+01 -0.230271D+01  0.100623D+01  0.270552D+01
      6   0.444927D+01 -0.157926D+01  0.107128D+02  0.395909D+01  0.140604D+02
                51            52            53            54            55 
      1  -0.741296D+01 -0.634413D+01 -0.345925D+01 -0.239623D+02  0.101864D+02
      2   0.958047D+01  0.762319D+01  0.142787D+02  0.101420D+02 -0.742777D+01
      3  -0.216751D+01 -0.127906D+01 -0.108195D+02  0.138203D+02 -0.275868D+01
      4   0.539037D+01  0.240042D+01  0.729300D+01  0.539456D+01 -0.375850D+02
      5   0.291500D+00  0.493260D+01  0.658961D+00  0.896699D-02  0.697660D+01
      6   0.385831D+01  0.304541D+01  0.228744D+02 -0.806719D+01  0.309311D+01
                56            57            58            59            60 
      1  -0.563010D+02  0.109234D+02 -0.102891D+01  0.256892D+02 -0.116055D+02
      2   0.360611D+02 -0.259043D+01 -0.395645D+01 -0.204342D+02  0.100468D+02
      3   0.202399D+02 -0.833298D+01  0.498536D+01 -0.525502D+01  0.155877D+01
      4  -0.284343D+02  0.624595D+01  0.329887D+02 -0.175930D+02  0.132518D+00
      5   0.727750D+01 -0.145247D+02 -0.838795D+01  0.673103D+00 -0.363250D+00
      6  -0.140814D+00  0.927161D+01  0.274853D+01  0.110168D+02  0.242755D+01
                61            62            63            64            65 
      1  -0.147325D+01 -0.819890D+01 -0.203713D+02  0.289627D+01 -0.114752D+01
      2   0.248969D+01  0.149119D+02  0.311754D+01 -0.903727D+00  0.188847D+01
      3  -0.101644D+01 -0.671305D+01  0.172538D+02 -0.199255D+01 -0.740956D+00
      4  -0.590235D+01  0.237843D+01 -0.964703D+01  0.672060D+01  0.900956D+01
      5   0.157240D+01 -0.116229D+02  0.854712D+01 -0.197185D+01 -0.219551D+01
      6   0.403059D+00  0.159593D+02 -0.529670D+01 -0.136096D+01 -0.121640D+01
                66            67            68            69            70 
      1   0.333597D+00 -0.390026D+01 -0.165737D+02  0.448746D+01  0.544717D+00
      2   0.123608D+00  0.512993D+01  0.179354D+02 -0.190496D+01 -0.307497D-01
      3  -0.457205D+00 -0.122967D+01 -0.136165D+01 -0.258250D+01 -0.513967D+00
      4  -0.165960D+01  0.119771D+02  0.169389D+02 -0.361046D+01 -0.309428D+01
      5   0.282745D+01 -0.359530D+01 -0.377071D+01  0.401634D+01  0.182802D+01
      6   0.116152D+01 -0.276908D+01 -0.672626D+01  0.559723D+01  0.215594D+01
                71            72            73            74            75 
      1   0.306268D+01 -0.376748D+01  0.237993D+01  0.615351D+01 -0.116424D+01
      2  -0.253048D+01  0.246221D+01  0.966670D+01 -0.166279D+02  0.190426D+01
      3  -0.532202D+00  0.130527D+01 -0.120466D+02  0.104744D+02 -0.740020D+00
      4  -0.425602D+01  0.234037D+01 -0.286446D+02  0.254967D+02 -0.386479D+01
      5   0.782870D+00 -0.160593D+01  0.412091D+01 -0.400730D+01  0.428716D+01
      6   0.343752D+01 -0.274115D+01 -0.259964D+01  0.312233D+01 -0.400510D+01
                76            77            78            79            80 
      1   0.101281D+02 -0.223613D+02  0.382309D+01 -0.270799D+01  0.451337D+01
      2  -0.218810D+02  0.389079D+02 -0.466342D+01  0.554942D+01 -0.678377D+01
      3   0.117529D+02 -0.165466D+02  0.840329D+00 -0.284142D+01  0.227041D+01
      4   0.280022D+02 -0.348977D+02  0.550664D+01 -0.532537D+01  0.606500D+01
      5  -0.532956D+01  0.567828D+01 -0.472828D+01  0.713690D+00 -0.283725D+01
      6   0.586038D+01 -0.703865D+01  0.725265D+01  0.613163D+00  0.387579D+01
                81            82            83            84            85 
      1  -0.133646D+01 -0.669751D+01 -0.117946D+02  0.333239D+01 -0.840952D+01
      2   0.232999D+01  0.965905D+01  0.171437D+02 -0.335852D+01  0.111126D+02
      3  -0.993532D+00 -0.296153D+01 -0.534912D+01  0.261234D-01 -0.270313D+01
      4  -0.301893D+01  0.874888D+01  0.170206D+02 -0.374549D+01  0.101945D+02
      5   0.176538D+01 -0.145004D+01 -0.251444D+01  0.291256D+01 -0.175019D+01
      6  -0.258733D+01 -0.307221D+01 -0.503708D+01  0.382866D+01 -0.315864D+01
                86            87            88            89            90 
      1  -0.500337D+02  0.121237D+02  0.236758D+01  0.128011D+02 -0.435265D+01
      2   0.679394D+02 -0.128266D+02 -0.339560D+01 -0.159836D+02  0.447380D+01
      3  -0.179056D+02  0.702915D+00  0.102802D+01  0.318256D+01 -0.121158D+00
      4   0.223706D+02 -0.473915D+01 -0.337896D+01 -0.526098D+01  0.277270D+01
      5  -0.232787D+01  0.201375D+01  0.889646D+00  0.253618D+01 -0.144234D+01
      6  -0.172205D+02  0.119114D+02  0.591861D+00  0.672754D+01 -0.429381D+01
                91            92            93            94            95 
      1  -0.584308D+01  0.438448D+01 -0.153319D+02  0.624857D+00 -0.719991D+01
      2   0.912826D+01  0.891277D+00  0.146339D+01  0.629831D+01 -0.387963D+01
      3  -0.328518D+01 -0.527576D+01  0.138685D+02 -0.692317D+01  0.110795D+02
      4  -0.699053D+01 -0.168203D+02 -0.285316D+01 -0.207575D+02  0.309680D+02
      5   0.535089D+00 -0.423605D+01 -0.178221D+02  0.156518D+01 -0.162614D+02
      6  -0.499283D+01  0.974204D+00  0.107374D+01 -0.485329D+01  0.425531D+01
                96            97            98            99           100 
      1  -0.129388D+01 -0.186602D-01 -0.294703D+01 -0.188697D+02 -0.740822D+02
      2   0.111030D+01 -0.151280D+02  0.789908D+01  0.171810D+02  0.432648D+02
      3   0.183577D+00  0.151467D+02 -0.495205D+01  0.168868D+01  0.308174D+02
      4  -0.185105D+02 -0.724801D+01 -0.203359D+02 -0.361816D+01  0.323629D+01
      5  -0.114163D+01 -0.610826D+02  0.336706D+01  0.147846D+02  0.414559D+02
      6   0.417127D+01  0.210977D+01 -0.180495D+01 -0.132993D+01  0.139976D+00
               101           102           103           104           105 
      1  -0.922953D+00  0.294934D+02 -0.830926D+01  0.335077D+02  0.653018D+01
      2   0.200829D+00 -0.908971D+01  0.195711D+01 -0.728341D+01 -0.229188D+01
      3   0.722123D+00 -0.204037D+02  0.635215D+01 -0.262243D+02 -0.423830D+01
      4   0.208520D+02  0.934283D+00  0.200393D+02 -0.333771D+01  0.251171D+02
      5   0.258489D+01  0.833202D+01  0.526267D+01  0.163775D+02  0.293691D+01
      6  -0.122219D+02 -0.125774D+01 -0.676864D+01 -0.207949D+01 -0.204864D+02
               106           107           108           109           110 
      1   0.634532D+01  0.466854D+01  0.168469D+02 -0.607024D+02 -0.245402D+02
      2   0.146810D+02 -0.397209D+01 -0.212669D+02  0.194294D+02  0.138761D+01
      3  -0.210263D+02 -0.696453D+00  0.441999D+01  0.412730D+02  0.231526D+02
      4  -0.540740D+00  0.215469D+02  0.161904D+01 -0.461356D+02 -0.290708D+02
      5   0.372448D+02 -0.123930D+01 -0.271583D+02  0.915844D+01 -0.798252D+00
      6  -0.228997D+01 -0.147888D+02 -0.431238D+01  0.311196D+00  0.381230D+01
               111           112           113           114           115 
      1   0.401490D+01 -0.348879D+02 -0.155921D+02  0.121549D+02  0.384825D+02
      2  -0.404250D+01  0.738234D+01  0.220150D+01 -0.104874D+00 -0.145250D+02
      3   0.275970D-01  0.275055D+02  0.133906D+02 -0.120500D+02 -0.239575D+02
      4   0.200552D+01 -0.154362D+02 -0.257538D+02  0.105675D+02  0.249031D+02
      5  -0.181757D+01  0.766729D+00  0.743479D+01 -0.833386D+01  0.212064D+02
      6  -0.487695D+01  0.504859D+01 -0.182036D+01 -0.122415D+01  0.464047D+01
               116           117           118           119           120 
      1   0.954643D+01  0.234574D+02  0.146703D+02 -0.117189D+02  0.622784D+01
      2  -0.120891D+01 -0.140714D+01 -0.164912D+01  0.194582D+01 -0.163691D+01
      3  -0.833753D+01 -0.220503D+02 -0.130212D+02  0.977309D+01 -0.459093D+01
      4   0.219279D+02  0.704462D+01 -0.237172D+02  0.231252D+02 -0.191931D+01
      5   0.388711D+01 -0.342302D+00  0.785597D+01 -0.158630D+01  0.116714D+02
      6  -0.890753D+00 -0.231862D+01 -0.218668D+01  0.125377D+01 -0.108113D+01
               121           122           123           124           125 
      1  -0.202340D+02  0.355783D+01 -0.103263D+01  0.915611D+01  0.657174D+00
      2   0.581953D+01  0.122197D+02 -0.273576D+01 -0.358501D+01 -0.374098D+01
      3   0.144144D+02 -0.157775D+02  0.376839D+01 -0.557110D+01  0.308381D+01
      4   0.234471D+02 -0.441946D+02  0.984048D+01 -0.414713D+01  0.143862D+02
      5  -0.234376D+01  0.908358D+01 -0.113790D+02  0.134805D+02 -0.885038D+01
      6   0.118517D+01 -0.367227D+01  0.451288D+01 -0.258893D+01  0.634394D+01
               126           127           128           129           130 
      1   0.376034D+01 -0.181478D+01  0.761421D+01 -0.109552D+02  0.117705D+02
      2  -0.199484D+01  0.773147D+00 -0.298626D+01 -0.284476D+00 -0.732616D+01
      3  -0.176550D+01  0.104164D+01 -0.462795D+01  0.112396D+02 -0.444437D+01
      4  -0.943053D+01  0.338928D+01 -0.645426D+01  0.256290D+01 -0.726047D-01
      5   0.596264D+01 -0.392450D-01 -0.666787D-01 -0.636163D+01 -0.905925D+01
      6  -0.339303D+01 -0.339087D+01  0.590132D+01 -0.299921D+01  0.114172D+01
               131           132           133           134           135 
      1  -0.169349D+02  0.114972D+02 -0.550790D+01  0.674748D+01 -0.138959D+02
      2   0.560220D+01  0.354781D+01  0.166929D+01  0.153393D+01 -0.237542D+01
      3   0.113327D+02 -0.150450D+02  0.383861D+01 -0.828141D+01  0.162713D+02
      4   0.225371D+02 -0.148866D+02 -0.374577D-02 -0.110794D+02  0.848481D+01
      5  -0.107590D+02  0.172791D+02  0.290745D+01  0.629569D+01 -0.110458D+02
      6  -0.166602D+02  0.136950D+02 -0.245122D+00  0.111520D+02 -0.795420D+01
               136           137           138           139           140 
      1   0.111445D+03 -0.161425D+01 -0.206760D+02  0.241584D+01  0.518654D+01
      2  -0.677263D+02  0.711566D+00  0.198266D+02 -0.245152D+01 -0.367962D+01
      3  -0.437184D+02  0.902687D+00  0.849315D+00  0.356710D-01 -0.150692D+01
      4  -0.619436D+01  0.121206D+02  0.275310D+01  0.132567D+02  0.168403D+00
      5  -0.660011D+02  0.221855D+01  0.322334D+02 -0.233172D+01 -0.640606D+01
      6   0.306636D+01 -0.432807D+01 -0.176553D+01 -0.381941D+01 -0.888180D-01
               141           142           143           144           145 
      1  -0.861688D+00 -0.875059D+01 -0.153517D+01  0.824079D+01  0.783917D+00
      2   0.147640D+01  0.908494D+01  0.587099D+00 -0.724871D+01 -0.999374D+00
      3  -0.614709D+00 -0.334348D+00  0.948067D+00 -0.992086D+00  0.215457D+00
      4  -0.535801D+01 -0.837987D+00 -0.390568D+01  0.409999D+00 -0.308013D+01
      5   0.212641D+01  0.179421D+02  0.113977D+01 -0.854172D+01 -0.296842D+01
      6   0.414090D+01 -0.573380D-01  0.301138D+01  0.492115D+00  0.342749D+01
               146           147           148           149           150 
      1  -0.902548D+01 -0.131069D+02 -0.883684D+01 -0.202944D+02 -0.162353D+02
      2   0.366615D+01  0.152578D+01  0.602748D+01  0.957465D+01 -0.417806D+00
      3   0.535933D+01  0.115811D+02  0.280936D+01  0.107198D+02  0.166531D+02
      4  -0.508565D+01 -0.281676D+01  0.412899D+01 -0.260710D+02 -0.208296D+02
      5  -0.568030D+00 -0.518000D+01  0.926055D+01 -0.166069D+02 -0.223867D+02
      6   0.672154D+01  0.516424D+01 -0.846875D+00  0.219151D+02  0.203337D+02
               151           152           153           154           155 
      1  -0.540065D+01 -0.111974D+02 -0.199462D+02  0.146628D+03  0.384616D+02
      2   0.288763D+01 -0.106717D+00 -0.280337D+01 -0.611387D+02 -0.899696D+01
      3   0.251302D+01  0.113041D+02  0.227496D+02 -0.854893D+02 -0.294646D+02
      4   0.294846D+01 -0.151298D+02 -0.145127D+02  0.718087D+02  0.481547D+02
      5   0.513590D+01 -0.126710D+02 -0.201920D+02  0.210161D+01  0.470922D+01
      6  -0.443781D+00  0.156581D+02  0.161676D+02 -0.147353D+01 -0.631270D+00
               156           157           158           159           160 
      1  -0.939952D+01  0.483994D+02  0.311106D+02 -0.611465D+01 -0.125047D+02
      2   0.195892D+01 -0.647477D+01  0.551343D+01 -0.708003D+00  0.234180D+01
      3   0.744061D+01 -0.419246D+02 -0.366240D+02  0.682265D+01  0.101629D+02
      4   0.517968D+00  0.677656D+02  0.629864D+02 -0.801537D+01 -0.999057D+01
      5   0.302107D+02 -0.298863D+01 -0.296673D+01  0.183459D+02  0.277664D+02
      6   0.777480D+01  0.698572D+00  0.814074D+00  0.882220D+01  0.869632D+01
               161           162           163           164           165 
      1  -0.394983D+01  0.144727D+02  0.392083D+02  0.162490D+02  0.104021D+02
      2  -0.256125D+01 -0.768918D+01 -0.232290D+02 -0.511119D+01 -0.817374D+01
      3   0.651108D+01 -0.678355D+01 -0.159793D+02 -0.111378D+02 -0.222841D+01
      4  -0.148235D+02  0.132647D+02  0.321957D+02  0.160738D+02  0.246858D+01
      5   0.118545D+02 -0.133187D+02  0.222467D+02  0.347648D+01  0.181268D+02
      6   0.711531D+01 -0.263427D+01  0.118002D+02  0.197447D+01  0.104587D+01
               166           167           168           169           170 
      1   0.215972D+02 -0.472960D+01 -0.129224D+02 -0.120656D+02 -0.103819D+02
      2  -0.102077D+02  0.443877D+01  0.333908D+01  0.251341D+00  0.267109D+01
      3  -0.113895D+02  0.290833D+00  0.958335D+01  0.118142D+02  0.771082D+01
      4   0.186579D+02  0.112911D+02  0.114927D+02 -0.816715D+01  0.261557D+00
      5   0.111131D+02  0.132475D+02  0.137312D+02  0.152049D+02  0.560617D+01
      6   0.390047D+01  0.942049D+01  0.133550D+02  0.100271D+00  0.107185D+02
               171           172           173           174           175 
      1  -0.288456D+02 -0.393903D+02 -0.892410D+01  0.113137D+02 -0.217750D+02
      2  -0.149873D+02  0.194205D+02  0.281810D+01  0.232043D+01  0.127167D+02
      3   0.438328D+02  0.199699D+02  0.610600D+01 -0.136341D+02  0.905826D+01
      4   0.317438D+01 -0.260829D+02 -0.118385D+02 -0.159740D+01 -0.176891D+02
      5   0.457547D+02 -0.154224D+02 -0.534378D+01 -0.136949D+02 -0.113694D+02
      6   0.132480D+02 -0.832581D+01 -0.528481D+01 -0.392130D+01 -0.527890D+01
               176           177           178           179           180 
      1  -0.107049D+02  0.382880D+01  0.124477D+01  0.130440D+01 -0.112127D+02
      2   0.500128D+01  0.337702D+01  0.489707D+01  0.375937D+00  0.157444D+01
      3   0.570357D+01 -0.720582D+01 -0.614184D+01 -0.168033D+01  0.963831D+01
      4  -0.703448D+01  0.104576D+01 -0.559200D+01 -0.397467D+00 -0.475204D+01
      5  -0.179755D+00 -0.107351D+02 -0.517044D+01 -0.191174D+01  0.367337D+01
      6  -0.302067D+01  0.114751D+01 -0.288860D+01  0.178026D+01 -0.152292D+01
               181           182           183           184           185 
      1  -0.148767D+01  0.587666D+02 -0.131491D+02 -0.749262D+02  0.283027D+02
      2  -0.947120D+00 -0.391483D+02  0.318912D+01  0.477974D+02 -0.220240D+02
      3   0.243479D+01 -0.196183D+02  0.995998D+01  0.271288D+02 -0.627867D+01
      4   0.297674D+02  0.359781D+02 -0.881746D+01  0.305841D+02  0.193492D+02
      5  -0.325557D+01 -0.108165D+02  0.188084D+02  0.110285D+00 -0.128205D+02
      6  -0.271611D+01  0.453617D+01 -0.116548D+02 -0.992510D+01  0.831168D+01
               186           187           188           189           190 
      1  -0.360025D+01  0.205398D+02 -0.126550D+02  0.104224D+01  0.122736D+03
      2   0.372438D+01 -0.208808D+02  0.129935D+02 -0.767485D+01 -0.693002D+02
      3  -0.124125D+00  0.341060D+00 -0.338488D+00  0.663260D+01 -0.534355D+02
      4  -0.128794D+02 -0.523135D+01 -0.152578D+02 -0.131052D+02 -0.190225D+02
      5  -0.546419D+01  0.270713D+02 -0.150136D+02  0.946013D+01  0.841501D+01
      6   0.365693D+01 -0.131848D+02  0.973658D+01  0.115616D+01  0.162155D+01
               191           192           193           194           195 
      1  -0.399581D+02  0.390026D+01 -0.364714D+01 -0.180044D+02  0.107262D+02
      2   0.267490D+02 -0.226063D+01 -0.177368D+01  0.215948D+02 -0.128240D+02
      3   0.132091D+02 -0.163964D+01  0.542082D+01 -0.359044D+01  0.209784D+01
      4   0.270495D+02 -0.494512D+01 -0.171256D+02 -0.550883D+02  0.134289D+02
      5  -0.598746D+01  0.346309D+01  0.155149D+02  0.132704D+02 -0.479095D+01
      6   0.592369D-01  0.526968D+01  0.500509D+01 -0.874013D+01 -0.133214D+01
               196           197           198           199           200 
      1  -0.351546D+00  0.122953D+02  0.229157D+02 -0.120461D+03  0.208222D+02
      2   0.127252D+01 -0.102959D+02 -0.200526D+02  0.588427D+02 -0.108069D+02
      3  -0.920977D+00 -0.199936D+01 -0.286309D+01  0.616180D+02 -0.100152D+02
      4   0.176065D+02  0.887402D+01 -0.617860D+01  0.253507D+02 -0.326777D+02
      5   0.477374D+02 -0.116638D+02  0.128533D+01 -0.568557D+01  0.136633D+02
      6  -0.210431D+01  0.700731D+01  0.378077D+01  0.650067D+01 -0.745530D+00
               201           202           203           204           205 
      1   0.142850D+01  0.959784D+02 -0.197969D+02 -0.412185D+01 -0.160043D+02
      2  -0.590081D+00 -0.603183D+02  0.276560D+01  0.550327D+01  0.132180D+02
      3  -0.838417D+00 -0.356600D+02  0.170313D+02 -0.138142D+01  0.278625D+01
      4   0.986253D+01 -0.174457D+02  0.258739D+02  0.383512D+01  0.612500D+01
      5   0.227869D+01  0.461399D+01  0.296543D+01  0.755690D+01  0.520919D+01
      6  -0.124348D+00  0.607944D+01  0.109325D+02  0.319463D+01  0.288470D+01
               206           207           208           209           210 
      1   0.174539D+01 -0.162554D+02  0.219877D+02  0.307460D+02 -0.540626D+01
      2   0.669722D+01 -0.136510D+01 -0.134519D+02 -0.199569D+02  0.218256D+01
      3  -0.844261D+01  0.176205D+02 -0.853588D+01 -0.107892D+02  0.322370D+01
      4   0.100661D+02  0.236120D+02  0.212012D+02  0.646937D+01  0.400401D+01
      5   0.244350D+02 -0.132267D+02 -0.663889D+01  0.450720D+01  0.274906D+02
      6   0.123760D+02 -0.116013D+01  0.113769D+01 -0.122024D+01 -0.694767D+01
               211           212           213           214           215 
      1  -0.271830D+01  0.164700D+02 -0.428454D+01  0.951487D+00 -0.470587D+01
      2   0.376007D+01 -0.629538D+01  0.585295D+01  0.101776D+01  0.410945D+01
      3  -0.104176D+01 -0.101746D+02 -0.156841D+01 -0.196925D+01  0.596421D+00
      4   0.442987D+02  0.713626D+01 -0.522228D+01 -0.856328D+01  0.474417D+00
      5  -0.914889D+01 -0.405082D+01 -0.111847D+02  0.144104D+02  0.423651D+01
      6  -0.143903D+01  0.215810D+01  0.850686D+01  0.253239D+01  0.286623D+01
               216           217           218           219           220 
      1   0.492029D+01 -0.702686D+02 -0.422961D+02  0.144925D+02 -0.367236D+02
      2  -0.337944D+01  0.424406D+02  0.212467D+02 -0.734976D+01  0.181655D+02
      3  -0.154085D+01  0.278280D+02  0.210494D+02 -0.714275D+01  0.185580D+02
      4   0.640919D+01 -0.393175D+02  0.134627D+02  0.160040D+01 -0.267686D+02
      5  -0.236280D+01  0.136682D+02  0.190692D+01 -0.673865D+01  0.792322D+01
      6  -0.300572D+01 -0.136955D+01 -0.935262D+00  0.217113D+01  0.345054D+01
               221           222           223           224           225 
      1   0.417617D+01  0.104703D+02  0.107742D+02  0.865594D+01 -0.142669D+01
      2  -0.674053D+01 -0.129803D+02  0.197992D+00 -0.109432D+02  0.230798D-01
      3   0.256437D+01  0.251004D+01 -0.109722D+02  0.228728D+01  0.140361D+01
      4   0.352292D+02  0.226023D+02  0.695483D+01  0.155353D+02  0.435851D+02
      5   0.226154D+02  0.678554D+02 -0.304825D+02  0.476906D+02 -0.414037D+02
      6  -0.925270D+01 -0.193801D+02  0.134172D+02 -0.151469D+02  0.811997D+01
               226           227           228           229           230 
      1  -0.702119D+01 -0.163077D+02  0.461513D+01 -0.779464D+01 -0.450150D+02
      2   0.689423D+01  0.151005D+02 -0.303906D+01  0.714900D+01  0.506647D+02
      3   0.126957D+00  0.120720D+01 -0.157607D+01  0.645647D+00 -0.564965D+01
      4   0.141276D+00  0.530774D+01 -0.827463D+00  0.287781D+01 -0.961964D+01
      5   0.237670D+00 -0.554364D+00  0.114056D+01 -0.813379D-01  0.376462D+01
      6  -0.227840D+01 -0.426136D+01  0.299743D+01 -0.185234D+01 -0.148077D+02
               231           232           233           234           235 
      1   0.113322D+02  0.239915D+01  0.117114D+02 -0.433676D+01  0.335407D+02
      2  -0.914967D+01 -0.198992D+01 -0.117578D+02  0.358790D+01 -0.113744D+02
      3  -0.218253D+01 -0.409226D+00  0.463946D-01  0.748867D+00 -0.221662D+02
      4   0.260996D+01 -0.156598D+00  0.263248D+01  0.965930D+00 -0.301530D+02
      5  -0.271491D+01  0.173428D+01 -0.246325D+00 -0.103391D+00  0.558938D+01
      6   0.980480D+01  0.650799D+00  0.573978D+01 -0.365602D+01 -0.189971D+01
               236           237           238           239           240 
      1  -0.119844D+02  0.994031D+00 -0.164576D+02  0.352261D+01 -0.761195D+00
      2  -0.479838D+00  0.286943D-01 -0.249633D+01  0.154174D+02 -0.770011D+00
      3   0.124643D+02 -0.102272D+01  0.189540D+02 -0.189400D+02  0.153121D+01
      4   0.251006D+02 -0.370728D+01  0.370309D+02 -0.427831D+02  0.680149D+01
      5  -0.477226D+01  0.380036D+01 -0.892337D+01  0.873912D+01 -0.692711D+01
      6   0.227673D+01 -0.214348D+01  0.536273D+01 -0.641583D+01  0.572671D+01
               241           242           243           244           245 
      1   0.151944D+01 -0.574180D+00 -0.158821D+01  0.397053D+01  0.820588D+01
      2   0.223630D+01 -0.276601D+01  0.152633D+01  0.295588D+01  0.976484D+00
      3  -0.375574D+01  0.334019D+01  0.618786D-01 -0.692641D+01 -0.918237D+01
      4  -0.748893D+01  0.826177D+01 -0.272064D+01  0.245740D+02  0.234143D+02
      5  -0.292703D+00 -0.236961D+01  0.199263D+01 -0.568226D+01 -0.488806D+01
      6   0.830587D-01  0.241795D+01 -0.182648D+01 -0.287776D+01 -0.270010D+01
               246           247           248           249           250 
      1  -0.186808D+01  0.684754D+01 -0.950275D+01  0.224162D+01 -0.175907D+01
      2   0.688404D+00  0.585890D+01  0.241955D+02 -0.301562D+01 -0.328540D+00
      3   0.117968D+01 -0.127064D+02 -0.146927D+02  0.773997D+00  0.208761D+01
      4  -0.591201D+01  0.305996D+02  0.507969D+02 -0.118018D+02 -0.816240D+01
      5   0.551764D+01 -0.656381D+01 -0.100326D+02  0.893698D+01  0.429102D+01
      6   0.289303D+01 -0.458695D+01 -0.873530D+01  0.784203D+01  0.352521D+01
               251           252           253           254           255 
      1   0.160804D+01 -0.123661D+01  0.230623D+01 -0.546152D+01 -0.105368D+02
      2  -0.444150D+01  0.220126D+01 -0.571327D+00  0.311448D+01  0.516439D+01
      3   0.283346D+01 -0.964651D+00 -0.173490D+01  0.234704D+01  0.537238D+01
      4  -0.131950D+02  0.473769D+01 -0.207477D+01 -0.112005D+01  0.166618D+01
      5   0.286202D+01 -0.304020D+01 -0.922438D+01  0.881505D+00 -0.340176D+01
      6   0.413375D+01 -0.355704D+01  0.220176D+01  0.108705D+01  0.217992D+01
               256           257           258           259           260 
      1  -0.224929D+02  0.369756D+01  0.117213D+01 -0.301027D+02  0.281179D+01
      2   0.643511D+01  0.109551D+02  0.408788D+01  0.132538D+02  0.306690D+01
      3   0.160578D+02 -0.146527D+02 -0.526002D+01  0.168489D+02 -0.587869D+01
      4   0.368958D+02 -0.561622D+02 -0.299019D+02  0.226320D+02 -0.331579D+02
      5   0.172651D+02 -0.307310D+02 -0.327037D+02  0.268113D+02 -0.316234D+02
      6  -0.843317D+01  0.142691D+02  0.129824D+02 -0.998169D+01  0.139044D+02
               261           262           263           264           265 
      1   0.169098D+01  0.109391D+02 -0.161676D+01  0.121355D+02 -0.887738D+01
      2  -0.246627D+01 -0.675233D+01  0.980176D+00 -0.514797D+01  0.363121D+01
      3   0.775292D+00 -0.418677D+01  0.636585D+00 -0.698754D+01  0.524617D+01
      4  -0.293469D+02 -0.828526D+00 -0.602051D+00 -0.529062D+01  0.206599D+02
      5  -0.316567D+02  0.132052D+02 -0.455734D+01  0.360689D+01 -0.155288D+02
      6   0.121711D+02 -0.288197D+01  0.930410D+00  0.315207D+00  0.463835D+01
               266           267           268           269           270 
      1   0.413700D+01 -0.573854D+01  0.457643D+02 -0.912219D+01  0.117649D+02
      2   0.419827D+00  0.239144D+01 -0.288907D+02  0.502789D+01 -0.162631D+02
      3  -0.455683D+01  0.334710D+01 -0.168736D+02  0.409430D+01  0.449818D+01
      4  -0.211985D+02  0.152846D+02 -0.239762D+02  0.217160D+02 -0.270486D+02
      5   0.161110D+02 -0.276682D+02  0.484223D+02 -0.306881D+02  0.754100D+02
      6  -0.571948D+01  0.107994D+02 -0.113953D+02  0.116498D+02 -0.165032D+02
               271           272           273           274           275 
      1   0.199088D+03  0.176830D+02 -0.138452D+02  0.605373D+02  0.183177D+02
      2  -0.105739D+03 -0.104174D+02  0.787372D+01 -0.329324D+02 -0.912931D+01
      3  -0.933497D+02 -0.726558D+01  0.597144D+01 -0.276049D+02 -0.918844D+01
      4   0.145386D+02  0.158238D+02 -0.587815D+00  0.223946D+02  0.137146D+02
      5  -0.147339D+02 -0.743914D+00  0.190957D+02 -0.362375D+01 -0.424445D+01
      6   0.231381D+01  0.119638D-01 -0.125772D+01  0.235151D+00  0.526347D+00
               276           277           278           279 
      1  -0.421489D+01 -0.239694D+02 -0.229615D+01  0.165098D+02
      2   0.287516D+01  0.135485D+02  0.217417D+01 -0.998041D+01
      3   0.133973D+01  0.104209D+02  0.121979D+00 -0.652943D+01
      4  -0.420662D+01 -0.108769D+01 -0.536289D+01 -0.149986D+01
      5   0.522552D+01  0.244364D+02 -0.168547D+01 -0.353529D+01
      6   0.135766D+01 -0.104672D+01  0.254170D+01 -0.187057D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.210330D+01      0.534607D+01      0.178326D+02
   x          0.199435D+01      0.506914D+01      0.169088D+02
   y          0.571605D+00      0.145287D+01      0.484627D+01
   z          0.345983D+00      0.879402D+00      0.293337D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.183454D+03      0.271851D+02      0.302475D+02
   aniso      0.146367D+03      0.216893D+02      0.241326D+02
   xx         0.274146D+03      0.406242D+02      0.452006D+02
   yx        -0.138067D+02     -0.204594D+01     -0.227641D+01
   yy         0.162745D+03      0.241164D+02      0.268331D+02
   zx        -0.823187D+01     -0.121984D+01     -0.135725D+01
   zy        -0.103439D+02     -0.153281D+01     -0.170548D+01
   zz         0.113472D+03      0.168148D+02      0.187090D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.206385D+03      0.305831D+02      0.340282D+02
   aniso      0.168899D+03      0.250283D+02      0.278478D+02
   xx         0.311177D+03      0.461116D+02      0.513061D+02
   yx        -0.180893D+02     -0.268056D+01     -0.298252D+01
   yy         0.181487D+03      0.268937D+02      0.299232D+02
   zx        -0.804335D+01     -0.119190D+01     -0.132617D+01
   zy        -0.111747D+02     -0.165592D+01     -0.184245D+01
   zz         0.126490D+03      0.187439D+02      0.208554D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.02064422         -0.90707113          0.92433595
     6          0.29799910          1.29262756          2.45517971
     6         -0.79111718         -0.63076508         -1.61612003
     6         -1.23436076          1.70799721         -2.66022976
     6         -0.90596916          3.87883470         -1.12724036
     6         -0.16883850          3.68343637          1.34444199
     6          0.44876481         -3.29199181          2.02312660
     1         -1.02378559         -2.32195680         -2.75048061
     1         -1.25383109          5.72537254         -1.94061820
     1          0.06938850          5.36626651          2.48432395
     6         -2.11526311          1.97671064         -5.37029115
     6         -4.85555211          1.12855166         -5.73618687
     6         -0.36798204          0.67575731         -7.28292117
     1         -1.99150682          3.98402550         -5.86765842
     1         -5.06386510         -0.86953240         -5.27920243
     1         -5.44215984          1.40038669         -7.68833598
     1         -6.09590511          2.20775896         -4.49512796
     8         -1.08109917         -0.25381863         -9.22007182
     8          2.12718921          0.72793364         -6.72331029
     1          2.36097213          1.35135007         -5.01753061
     6          1.19166424         -3.51819408          4.49473538
     6          1.50416040         -1.33181816          6.00282811
     6          1.06302996          1.02301370          4.98795886
     8          2.23511561         -1.40618548          8.46480390
     6          2.71681305         -3.78418175          9.60339744
     1          0.21493645         -4.97201390          0.87784433
     1          1.53446680         -5.37165096          5.27482479
     1          1.31272682          2.67370420          6.16906134
     1          4.25898473         -4.77975437          8.65402108
     1          1.02923267         -4.97702780          9.60823917
     1          3.26449527         -3.37777783         11.54119069

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.210330D+01      0.534607D+01      0.178326D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.210330D+01      0.534607D+01      0.178326D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.183454D+03      0.271851D+02      0.302475D+02
   aniso      0.146367D+03      0.216893D+02      0.241326D+02
   xx         0.124841D+03      0.184996D+02      0.205835D+02
   yx        -0.145924D+02     -0.216237D+01     -0.240596D+01
   yy         0.174560D+03      0.258671D+02      0.287810D+02
   zx         0.439368D+02      0.651076D+01      0.724420D+01
   zy        -0.310115D+02     -0.459543D+01     -0.511311D+01
   zz         0.250962D+03      0.371888D+02      0.413781D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.206385D+03      0.305831D+02      0.340282D+02
   aniso      0.168899D+03      0.250283D+02      0.278478D+02
   xx         0.139389D+03      0.206553D+02      0.229821D+02
   yx        -0.173981D+02     -0.257813D+01     -0.286855D+01
   yy         0.195995D+03      0.290435D+02      0.323153D+02
   zx         0.494973D+02      0.733474D+01      0.816100D+01
   zy        -0.382608D+02     -0.566967D+01     -0.630836D+01
   zz         0.283770D+03      0.420504D+02      0.467874D+02

 ----------------------------------------------------------------------

 Test job not archived.
 1\1\GINC-CPN-U22-32\Freq\RLC-PBEPBE\Gen\C14H14O3\PIERPA\17-Aug-2021\0\
 \#P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight)
  Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=02300000
 00,3/108=0230000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-
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 9,-0.04043275,-0.02008414,0.05436299\\-0.00000179,0.00000099,-0.000000
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 ,-0.00000353,0.00000239,-0.00000290,0.00000695,-0.00000288,-0.00000025
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 0.00000041,0.00000019,0.00000030,-0.00000048,0.00000022,0.00000051,-0.
 00000048,0.00000081,0.00000096,-0.00000055,0.00000004\\\@


 THE UNDERLYING PHYSICAL LAWS NECESSARY FOR THE 
 MATHEMATICAL THEORY OF A LARGE PART OF PHYSICS AND THE
 WHOLE OF CHEMISTRY ARE THUS COMPLETELY KNOWN, AND THE
 DIFFICULTY IS ONLY THAT THE EXACT APPLICATION OF THESE
 LAWS LEADS TO EQUATIONS MUCH TOO COMPLICATED 
 TO BE SOLUBLE.

                                        -- P. A. M. DIRAC, 1929
 Job cpu time:       0 days 21 hours  9 minutes 22.0 seconds.
 Elapsed time:       0 days  2 hours 39 minutes  5.2 seconds.
 File lengths (MBytes):  RWF=    750 Int=      0 D2E=      0 Chk=     26 Scr=      2
 Normal termination of Gaussian 16 at Tue Aug 17 00:07:48 2021.
